(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine

C6H12N4 — CID 61336968

IUPAC(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCC(C)c1n[nH]c(CN)n1
InChIInChI=1S/C6H12N4/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10)
InChIKeyFRHFXFXZSQDYBC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.39
Rot. Bonds2

About (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine

(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 61336968) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID61336968
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCC(C)c1n[nH]c(CN)n1
InChIInChI=1S/C6H12N4/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10)
InChIKeyFRHFXFXZSQDYBC-UHFFFAOYSA-N
XLogP0.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 16682443
3,5-diethyl-1H-1,2,4-triazole
CID 15520387
5-(propan-2-yl)-4H-1,2,4-triazol-3-amine
CID 2756463
3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
CID 198348
3-ethyl-1H-1,2,4-triazol-5-amine
CID 1714204
3-chloro-5-isopropyl-1H-1,2,4-triazole
CID 45492456
5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide
CID 6602727
5-Amino-N-methyl-1H-1,2,4-triazole-3-ethanamine
CID 657726
5-Isobutyl-4H-1,2,4-triazol-3-amine
CID 4366578
3-Bromo-5-(propan-2-yl)-1H-1,2,4-triazole
CID 45493723
2-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 50988180
5-(aminomethyl)-1H-1,2,4-triazol-3-amine hydrochloride
CID 56763135

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine (CID 61336968) is (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine is CC(C)c1n[nH]c(CN)n1.
What is the InChIKey of (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is FRHFXFXZSQDYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10).
What are the key properties of (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 61336968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).