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

C13H19N5 — CID 61167520

IUPACN-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCCCCCNc1cccnc1-n1cncn1
InChIInChI=1S/C13H19N5/c1-2-3-4-5-8-15-12-7-6-9-16-13(12)18-11-14-10-17-18/h6-7,9-11,15H,2-5,8H2,1H3
InChIKeyDBOSZQSMCNRVBW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.65
Rot. Bonds7

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

N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61167520) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID61167520
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCCCCCNc1cccnc1-n1cncn1
InChIInChI=1S/C13H19N5/c1-2-3-4-5-8-15-12-7-6-9-16-13(12)18-11-14-10-17-18/h6-7,9-11,15H,2-5,8H2,1H3
InChIKeyDBOSZQSMCNRVBW-UHFFFAOYSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2-pyrazol-1-ylpyridin-3-amine
CID 43736889
N-octyl-2-(1,2,4-triazol-1-yl)aniline
CID 43711465
N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167508
N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166356
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945336
N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167331
1-(3-butoxypropyl)-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 60616709
N-(2,6-dimethylheptan-4-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167513
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62762369
N-butyl-3-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43726263

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61167520) is N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CCCCCCNc1cccnc1-n1cncn1.
What is the InChIKey of N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is DBOSZQSMCNRVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-3-4-5-8-15-12-7-6-9-16-13(12)18-11-14-10-17-18/h6-7,9-11,15H,2-5,8H2,1H3.
What are the key properties of N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61167520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).