N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide

C12H11N7O2 — CID 83097160

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cn(-c3ccccc3)nn2)n1
InChIInChI=1S/C12H11N7O2/c1-21-12-14-11(16-17-12)13-10(20)9-7-19(18-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,16,17,20)
InChIKeyDVRXBJXBLKLVHZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.65
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide (PubChem CID 83097160) has the molecular formula C12H11N7O2 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
PubChem CID83097160
Molecular FormulaC12H11N7O2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cn(-c3ccccc3)nn2)n1
InChIInChI=1S/C12H11N7O2/c1-21-12-14-11(16-17-12)13-10(20)9-7-19(18-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,16,17,20)
InChIKeyDVRXBJXBLKLVHZ-UHFFFAOYSA-N
XLogP0.65
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-phenyltriazole-4-carboxamide
CID 115610229
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenyltriazole-4-carboxamide
CID 43546741
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
CID 83090123
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 83097894
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyltriazole-4-carboxamide
CID 43066318
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide (CID 83097160) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide is COc1n[nH]c(NC(=O)c2cn(-c3ccccc3)nn2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide?
The InChIKey is DVRXBJXBLKLVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O2/c1-21-12-14-11(16-17-12)13-10(20)9-7-19(18-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,14,16,17,20).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide has a molecular weight of 285.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 83097160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).