6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine

C12H22N4 — CID 115897311

IUPAC6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1ncn(C)n1
InChIInChI=1S/C12H22N4/c1-10(2)6-5-7-11(3)13-8-12-14-9-16(4)15-12/h6,9,11,13H,5,7-8H2,1-4H3
InChIKeyTWLYGIOXWVTYTR-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.04
Rot. Bonds6

About 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine

6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine (PubChem CID 115897311) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
PubChem CID115897311
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1ncn(C)n1
InChIInChI=1S/C12H22N4/c1-10(2)6-5-7-11(3)13-8-12-14-9-16(4)15-12/h6,9,11,13H,5,7-8H2,1-4H3
InChIKeyTWLYGIOXWVTYTR-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-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

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115897313
6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
CID 115725776
N-[(2-chloro-3-methylimidazol-4-yl)methyl]-6-methylhept-5-en-2-amine
CID 154865378
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 103914670
6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine
CID 115715037
6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine
CID 115891754
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine
CID 103907121
1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 115897334
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 115880292
1-(2-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103882358
1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 102613114
1-(2-methyloxolan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 136544929

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine (CID 115897311) is 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine is CC(C)=CCCC(C)NCc1ncn(C)n1.
What is the InChIKey of 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine?
The InChIKey is TWLYGIOXWVTYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)6-5-7-11(3)13-8-12-14-9-16(4)15-12/h6,9,11,13H,5,7-8H2,1-4H3.
What are the key properties of 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine?
6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine has a molecular weight of 222.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine is sourced from PubChem (CID 115897311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).