N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide

C16H12N8O — CID 122300794

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H12N8O/c25-15(14-10-20-24(22-14)13-4-2-1-3-5-13)21-12-8-18-16(19-9-12)23-7-6-17-11-23/h1-11H,(H,21,25)
InChIKeyVRRWHJBZZYEJJO-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.50
Rot. Bonds4

About N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide

N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 122300794) has the molecular formula C16H12N8O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
PubChem CID122300794
Molecular FormulaC16H12N8O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H12N8O/c25-15(14-10-20-24(22-14)13-4-2-1-3-5-13)21-12-8-18-16(19-9-12)23-7-6-17-11-23/h1-11H,(H,21,25)
InChIKeyVRRWHJBZZYEJJO-UHFFFAOYSA-N
XLogP1.50
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
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N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
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N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
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N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide
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N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
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N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
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N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 18152599

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide (CID 122300794) is N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide is O=C(Nc1cnc(-n2ccnc2)nc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide?
The InChIKey is VRRWHJBZZYEJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8O/c25-15(14-10-20-24(22-14)13-4-2-1-3-5-13)21-12-8-18-16(19-9-12)23-7-6-17-11-23/h1-11H,(H,21,25).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 122300794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).