2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide

C8H8N6O — CID 110691520

IUPAC2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C8H8N6O/c1-14-11-5-6(13-14)7(15)12-8-9-3-2-4-10-8/h2-5H,1H3,(H,9,10,12,15)
InChIKeyXXWDOHQAQXKNEN-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.14
Rot. Bonds2

About 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide

2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide (PubChem CID 110691520) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
PubChem CID110691520
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C8H8N6O/c1-14-11-5-6(13-14)7(15)12-8-9-3-2-4-10-8/h2-5H,1H3,(H,9,10,12,15)
InChIKeyXXWDOHQAQXKNEN-UHFFFAOYSA-N
XLogP-0.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide?
The IUPAC name of 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide (CID 110691520) is 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide is Cn1ncc(C(=O)Nc2ncccn2)n1.
What is the InChIKey of 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide?
The InChIKey is XXWDOHQAQXKNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c1-14-11-5-6(13-14)7(15)12-8-9-3-2-4-10-8/h2-5H,1H3,(H,9,10,12,15).
What are the key properties of 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide?
2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide has a molecular weight of 204.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 110691520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).