COMPOUND: C15383
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Entry
C15383 Compound
Name
(5-Phenyl-1,2,4-triazol-3-yl)urea;
3-Phenyl-5-ureido-1,2,4-triazole
Formula
C9H9N5O
Exact mass
203.0807
Mol weight
203.2007
Structure
Mol file
KCF file
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PubChem:
17396380
ChEBI:
79884
NIKKAJI:
J2.794.282B
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KCF data
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ATOM 15
1 N5x N 16.4500 -17.3600
2 C8y C 17.8500 -17.3600
3 N5x N 18.2826 -16.0285
4 N4x N 17.1500 -15.2056
5 C8y C 16.0174 -16.0285
6 C8y C 18.6729 -18.4926
7 C8x C 18.1111 -19.7547
8 C8x C 18.9341 -20.8873
9 C8x C 20.3265 -20.7408
10 C8x C 20.8882 -19.4787
11 C8x C 20.0652 -18.3461
12 N1b N 14.6978 -15.5997
13 C5a C 13.6535 -16.5399
14 N1a N 12.3131 -16.1045
15 O5a O 13.9404 -17.8896
BOND 16
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 2 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 6 11 1
13 5 12 1
14 12 13 1
15 13 14 1
16 13 15 2
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