N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H13N7O — CID 649222

IUPACN-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1nc2ncccn2n1
InChIInChI=1S/C16H13N7O/c24-15(14-20-16-17-7-4-8-23(16)21-14)19-13-9-18-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,24)
InChIKeyCLVZMTUHVRUEOE-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.62
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 649222) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID649222
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1nc2ncccn2n1
InChIInChI=1S/C16H13N7O/c24-15(14-20-16-17-7-4-8-23(16)21-14)19-13-9-18-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,24)
InChIKeyCLVZMTUHVRUEOE-UHFFFAOYSA-N
XLogP1.62
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 649222) is N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1nc2ncccn2n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CLVZMTUHVRUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c24-15(14-20-16-17-7-4-8-23(16)21-14)19-13-9-18-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 649222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).