1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide

C14H20N6O — CID 71125465

IUPAC1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide
SMILESCc1ncc(N)cc1-n1cc(C(=O)NCC(C)(C)C)nn1
InChIInChI=1S/C14H20N6O/c1-9-12(5-10(15)6-16-9)20-7-11(18-19-20)13(21)17-8-14(2,3)4/h5-7H,8,15H2,1-4H3,(H,17,21)
InChIKeyIMBJQZHOKVZHBQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.33
Rot. Bonds3

About 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide

1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide (PubChem CID 71125465) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide
PubChem CID71125465
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide
SMILESCc1ncc(N)cc1-n1cc(C(=O)NCC(C)(C)C)nn1
InChIInChI=1S/C14H20N6O/c1-9-12(5-10(15)6-16-9)20-7-11(18-19-20)13(21)17-8-14(2,3)4/h5-7H,8,15H2,1-4H3,(H,17,21)
InChIKeyIMBJQZHOKVZHBQ-UHFFFAOYSA-N
XLogP1.33
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide (CID 71125465) is 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide is Cc1ncc(N)cc1-n1cc(C(=O)NCC(C)(C)C)nn1.
What is the InChIKey of 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide?
The InChIKey is IMBJQZHOKVZHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-12(5-10(15)6-16-9)20-7-11(18-19-20)13(21)17-8-14(2,3)4/h5-7H,8,15H2,1-4H3,(H,17,21).
What are the key properties of 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide?
1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-3-pyridinyl)-N-(2,2-dimethylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 71125465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).