3-(1,2,4-triazol-1-yl)butan-2-amine

C6H12N4 — CID 50987516

IUPAC3-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(N)C(C)n1cncn1
InChIInChI=1S/C6H12N4/c1-5(7)6(2)10-4-8-3-9-10/h3-6H,7H2,1-2H3
InChIKeyYYLBLMYFEQNWIL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.19
Rot. Bonds2

About 3-(1,2,4-triazol-1-yl)butan-2-amine

3-(1,2,4-triazol-1-yl)butan-2-amine (PubChem CID 50987516) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)butan-2-amine
PubChem CID50987516
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(N)C(C)n1cncn1
InChIInChI=1S/C6H12N4/c1-5(7)6(2)10-4-8-3-9-10/h3-6H,7H2,1-2H3
InChIKeyYYLBLMYFEQNWIL-UHFFFAOYSA-N
XLogP0.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,4-Triazole-1-propanamine
CID 4379682
1H-1,2,4-Triazole-1-ethanamine
CID 3039957
1-(propan-2-yl)-1H-1,2,4-triazole
CID 12762443
3-(1H-1,2,4-triazol-1-yl)piperidine
CID 19005989
1H-1,2,4-Triazol-3-amine, 1-propyl-
CID 143566
1H-1,2,4-Triazole, 1-(2-dimethylaminoethyl)-
CID 3039953
1-[(pyrrolidin-2-yl)methyl]-1H-1,2,4-triazole
CID 25248699
2-(1H-1,2,4-triazol-1-yl)ethan-1-amine hydrochloride
CID 50988733
1H-1,2,4-Triazol-3-amine, 1-ethyl-
CID 142619
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
1H-1,2,4-Triazol-5-amine, 1-propyl-
CID 143567
1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 6484104

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)butan-2-amine?
The IUPAC name of 3-(1,2,4-triazol-1-yl)butan-2-amine (CID 50987516) is 3-(1,2,4-triazol-1-yl)butan-2-amine.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)butan-2-amine?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)butan-2-amine is CC(N)C(C)n1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)butan-2-amine?
The InChIKey is YYLBLMYFEQNWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(7)6(2)10-4-8-3-9-10/h3-6H,7H2,1-2H3.
What are the key properties of 3-(1,2,4-triazol-1-yl)butan-2-amine?
3-(1,2,4-triazol-1-yl)butan-2-amine has a molecular weight of 140.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)butan-2-amine is sourced from PubChem (CID 50987516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).