N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C15H23N5 — CID 43691593

IUPACN-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCC(C)CC(CC)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H23N5/c1-4-12(3)8-13(5-2)19-14-6-7-15(17-9-14)20-11-16-10-18-20/h6-7,9-13,19H,4-5,8H2,1-3H3
InChIKeyNWQOXOLPKHDZHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.29
Rot. Bonds7

About N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 43691593) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID43691593
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCC(C)CC(CC)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H23N5/c1-4-12(3)8-13(5-2)19-14-6-7-15(17-9-14)20-11-16-10-18-20/h6-7,9-13,19H,4-5,8H2,1-3H3
InChIKeyNWQOXOLPKHDZHL-UHFFFAOYSA-N
XLogP3.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpropyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 64917769
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43782808
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
N-pentan-3-yl-4-(1,2,4-triazol-1-yl)aniline
CID 54862710
N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691613
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
N-(4-propan-2-ylcyclohexyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62708772
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114555142
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
N-(5-methylheptan-3-yl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 60931153

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 43691593) is N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CCC(C)CC(CC)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is NWQOXOLPKHDZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-12(3)8-13(5-2)19-14-6-7-15(17-9-14)20-11-16-10-18-20/h6-7,9-13,19H,4-5,8H2,1-3H3.
What are the key properties of N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 273.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43691593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).