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

C6H12N4 — CID 45490077

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(N)c1ncnn1C
InChIInChI=1S/C6H12N4/c1-3-5(7)6-8-4-9-10(6)2/h4-5H,3,7H2,1-2H3
InChIKeySGXWUDGJVDSLSF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.22
Rot. Bonds2

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

1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 45490077) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID45490077
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(N)c1ncnn1C
InChIInChI=1S/C6H12N4/c1-3-5(7)6-8-4-9-10(6)2/h4-5H,3,7H2,1-2H3
InChIKeySGXWUDGJVDSLSF-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)butanoate
CID 79471366
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 79472097
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 130530383
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70043029
(1S)-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-amine
CID 113431757
1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-amine
CID 104603281
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228558
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine
CID 23005817

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 45490077) is 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is CCC(N)c1ncnn1C.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is SGXWUDGJVDSLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5(7)6-8-4-9-10(6)2/h4-5H,3,7H2,1-2H3.
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 45490077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).