N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

C17H16N6O2 — CID 33151610

IUPACN-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H16N6O2/c1-11-15(22-23(21-11)14-5-3-2-4-6-14)16(24)19-12-7-9-13(10-8-12)20-17(18)25/h2-10H,1H3,(H,19,24)(H3,18,20,25)
InChIKeySLBIYQKXTZIURL-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.32
Rot. Bonds4

About N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 33151610) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID33151610
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H16N6O2/c1-11-15(22-23(21-11)14-5-3-2-4-6-14)16(24)19-12-7-9-13(10-8-12)20-17(18)25/h2-10H,1H3,(H,19,24)(H3,18,20,25)
InChIKeySLBIYQKXTZIURL-UHFFFAOYSA-N
XLogP2.32
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
ethyl 4-[4-methyl-5-(phenylcarbamoyl)triazol-2-yl]benzoate
CID 172704900
N-[4-(diethoxyphosphorylmethyl)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 3827368
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenyltriazole-4-carboxamide
CID 9490444
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8900193
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305
N-(3-chloro-4-propan-2-yloxyphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 46399207
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 2799314

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 33151610) is N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is SLBIYQKXTZIURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-15(22-23(21-11)14-5-3-2-4-6-14)16(24)19-12-7-9-13(10-8-12)20-17(18)25/h2-10H,1H3,(H,19,24)(H3,18,20,25).
What are the key properties of N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 33151610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).