2-(3-methyltriazol-4-yl)propan-1-amine

C6H12N4 — CID 114691377

IUPAC2-(3-methyltriazol-4-yl)propan-1-amine
SMILESCC(CN)c1cnnn1C
InChIInChI=1S/C6H12N4/c1-5(3-7)6-4-8-9-10(6)2/h4-5H,3,7H2,1-2H3
InChIKeyZZRASDGZIJJMII-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.12
Rot. Bonds2

About 2-(3-methyltriazol-4-yl)propan-1-amine

2-(3-methyltriazol-4-yl)propan-1-amine (PubChem CID 114691377) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(3-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methyltriazol-4-yl)propan-1-amine
PubChem CID114691377
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-(3-methyltriazol-4-yl)propan-1-amine
SMILESCC(CN)c1cnnn1C
InChIInChI=1S/C6H12N4/c1-5(3-7)6-4-8-9-10(6)2/h4-5H,3,7H2,1-2H3
InChIKeyZZRASDGZIJJMII-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690459
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
CID 114691476
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-(3-methyltriazol-4-yl)propan-1-amine (CID 114691377) is 2-(3-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-methyltriazol-4-yl)propan-1-amine is CC(CN)c1cnnn1C.
What is the InChIKey of 2-(3-methyltriazol-4-yl)propan-1-amine?
The InChIKey is ZZRASDGZIJJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(3-7)6-4-8-9-10(6)2/h4-5H,3,7H2,1-2H3.
What are the key properties of 2-(3-methyltriazol-4-yl)propan-1-amine?
2-(3-methyltriazol-4-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 114691377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).