N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C13H19N5 — CID 62951127

IUPACN-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(C)(C)CCNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H19N5/c1-13(2,3)6-7-15-11-4-5-12(16-8-11)18-10-14-9-17-18/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyVPHYQLNWADQWAK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.51
Rot. Bonds4

About N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 62951127) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID62951127
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCC(C)(C)CCNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H19N5/c1-13(2,3)6-7-15-11-4-5-12(16-8-11)18-10-14-9-17-18/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyVPHYQLNWADQWAK-UHFFFAOYSA-N
XLogP2.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 62951127) is N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CC(C)(C)CCNc1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is VPHYQLNWADQWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)6-7-15-11-4-5-12(16-8-11)18-10-14-9-17-18/h4-5,8-10,15H,6-7H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 62951127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).