[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine

C8H16N4 — CID 82468055

IUPAC[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)CCn1cnnc1CN
InChIInChI=1S/C8H16N4/c1-7(2)3-4-12-6-10-11-8(12)5-9/h6-7H,3-5,9H2,1-2H3
InChIKeyAULFKLQQXAZSHZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.78
Rot. Bonds4

About [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine

[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 82468055) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID82468055
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)CCn1cnnc1CN
InChIInChI=1S/C8H16N4/c1-7(2)3-4-12-6-10-11-8(12)5-9/h6-7H,3-5,9H2,1-2H3
InChIKeyAULFKLQQXAZSHZ-UHFFFAOYSA-N
XLogP0.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 22938731
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 111495001
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
CID 115725048
[4-[2-(2-fluorophenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 82472571
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82014118
4-methyl-3-(5-methylhexyl)-1,2,4-triazole
CID 121323792
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111822187
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62711428
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 82849099
[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 82468722
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]ethanamine
CID 79463763
2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160297

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine (CID 82468055) is [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine is CC(C)CCn1cnnc1CN.
What is the InChIKey of [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is AULFKLQQXAZSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(2)3-4-12-6-10-11-8(12)5-9/h6-7H,3-5,9H2,1-2H3.
What are the key properties of [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
[4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82468055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).