7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C10H10N8O — CID 54883581

IUPAC7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ncn[nH]2)cnc2ncnn12
InChIInChI=1S/C10H10N8O/c1-6-7(2-12-10-14-5-16-18(6)10)9(19)11-3-8-13-4-15-17-8/h2,4-5H,3H2,1H3,(H,11,19)(H,13,15,17)
InChIKeyYZZHRZLAFYAMKS-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.52
Rot. Bonds3

About 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 54883581) has the molecular formula C10H10N8O and a molecular weight of 258.24 g/mol. Its IUPAC name is 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID54883581
Molecular FormulaC10H10N8O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ncn[nH]2)cnc2ncnn12
InChIInChI=1S/C10H10N8O/c1-6-7(2-12-10-14-5-16-18(6)10)9(19)11-3-8-13-4-15-17-8/h2,4-5H,3H2,1H3,(H,11,19)(H,13,15,17)
InChIKeyYZZHRZLAFYAMKS-UHFFFAOYSA-N
XLogP-0.52
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 54883581) is 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ncn[nH]2)cnc2ncnn12.
What is the InChIKey of 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YZZHRZLAFYAMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8O/c1-6-7(2-12-10-14-5-16-18(6)10)9(19)11-3-8-13-4-15-17-8/h2,4-5H,3H2,1H3,(H,11,19)(H,13,15,17).
What are the key properties of 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 258.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 54883581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).