(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine

C7H14N4 — CID 94552952

IUPAC(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCn1ncnc1C[C@@H](C)N
InChIInChI=1S/C7H14N4/c1-3-11-7(4-6(2)8)9-5-10-11/h5-6H,3-4,8H2,1-2H3/t6-/m1/s1
InChIKeyZRTQRPZEYQBADQ-ZCFIWIBFSA-N
MW154.22 g/mol
LogP0.19
Rot. Bonds3

About (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine

(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 94552952) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID94552952
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCn1ncnc1C[C@@H](C)N
InChIInChI=1S/C7H14N4/c1-3-11-7(4-6(2)8)9-5-10-11/h5-6H,3-4,8H2,1-2H3/t6-/m1/s1
InChIKeyZRTQRPZEYQBADQ-ZCFIWIBFSA-N
XLogP0.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine 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

1-[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800710
1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
CID 105002075
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66398211
1-(3,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001811
1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958583
1-[5-bromo-2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115962863
1-(4-tert-butylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002222
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103544076
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanamine
CID 114097376
1-(5-ethylfuran-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001972
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine (CID 94552952) is (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine is CCn1ncnc1C[C@@H](C)N.
What is the InChIKey of (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is ZRTQRPZEYQBADQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-11-7(4-6(2)8)9-5-10-11/h5-6H,3-4,8H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 94552952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).