N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide

C15H22N6O — CID 119608152

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cn(Cc2ccccn2)nn1
InChIInChI=1S/C15H22N6O/c1-11(2)15(3,10-16)18-14(22)13-9-21(20-19-13)8-12-6-4-5-7-17-12/h4-7,9,11H,8,10,16H2,1-3H3,(H,18,22)
InChIKeyVFMHDKDUJUOWOB-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.82
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 119608152) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID119608152
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cn(Cc2ccccn2)nn1
InChIInChI=1S/C15H22N6O/c1-11(2)15(3,10-16)18-14(22)13-9-21(20-19-13)8-12-6-4-5-7-17-12/h4-7,9,11H,8,10,16H2,1-3H3,(H,18,22)
InChIKeyVFMHDKDUJUOWOB-UHFFFAOYSA-N
XLogP0.82
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 119608152) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide is CC(C)C(C)(CN)NC(=O)c1cn(Cc2ccccn2)nn1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is VFMHDKDUJUOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(2)15(3,10-16)18-14(22)13-9-21(20-19-13)8-12-6-4-5-7-17-12/h4-7,9,11H,8,10,16H2,1-3H3,(H,18,22).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 119608152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).