2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine

C8H16N4 — CID 65221720

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCC(CN)c1n[nH]c(C)n1
InChIInChI=1S/C8H16N4/c1-3-4-7(5-9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3,(H,10,11,12)
InChIKeyPJCUKWROQOQRER-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.96
Rot. Bonds4

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine

2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 65221720) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID65221720
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCC(CN)c1n[nH]c(C)n1
InChIInChI=1S/C8H16N4/c1-3-4-7(5-9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3,(H,10,11,12)
InChIKeyPJCUKWROQOQRER-UHFFFAOYSA-N
XLogP0.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine (CID 65221720) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine is CCCC(CN)c1n[nH]c(C)n1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is PJCUKWROQOQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-4-7(5-9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 65221720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).