6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine

C12H22N4 — CID 62721244

IUPAC6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
SMILESCn1nc(C2CC2)nc1CCCCCCN
InChIInChI=1S/C12H22N4/c1-16-11(6-4-2-3-5-9-13)14-12(15-16)10-7-8-10/h10H,2-9,13H2,1H3
InChIKeyBZKQVLMOYBTWFH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.75
Rot. Bonds7

About 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine

6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine (PubChem CID 62721244) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
PubChem CID62721244
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
SMILESCn1nc(C2CC2)nc1CCCCCCN
InChIInChI=1S/C12H22N4/c1-16-11(6-4-2-3-5-9-13)14-12(15-16)10-7-8-10/h10H,2-9,13H2,1H3
InChIKeyBZKQVLMOYBTWFH-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-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

(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62694934
6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62722491
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-ethylethanamine
CID 62720706
N-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62720716
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62720886
5-[4-(aminomethyl)cyclohexyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605683
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62720541
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62941672
2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82482696
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 61377064

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
The IUPAC name of 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine (CID 62721244) is 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine.
What is the SMILES notation for 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
The canonical SMILES for 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine is Cn1nc(C2CC2)nc1CCCCCCN.
What is the InChIKey of 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
The InChIKey is BZKQVLMOYBTWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-16-11(6-4-2-3-5-9-13)14-12(15-16)10-7-8-10/h10H,2-9,13H2,1H3.
What are the key properties of 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine?
6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine is sourced from PubChem (CID 62721244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).