(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine

C13H24N4 — CID 163878218

IUPAC(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
SMILESCC/C=C\CCC(CCCN)c1n[nH]c(C)n1
InChIInChI=1S/C13H24N4/c1-3-4-5-6-8-12(9-7-10-14)13-15-11(2)16-17-13/h4-5,12H,3,6-10,14H2,1-2H3,(H,15,16,17)/b5-4-
InChIKeyPQTVYAPKTWBPDA-PLNGDYQASA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds8

About (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine

(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine (PubChem CID 163878218) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
PubChem CID163878218
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
SMILESCC/C=C\CCC(CCCN)c1n[nH]c(C)n1
InChIInChI=1S/C13H24N4/c1-3-4-5-6-8-12(9-7-10-14)13-15-11(2)16-17-13/h4-5,12H,3,6-10,14H2,1-2H3,(H,15,16,17)/b5-4-
InChIKeyPQTVYAPKTWBPDA-PLNGDYQASA-N
XLogP2.68
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-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-(Heptadec-8-enyl)-1h-1,2,4-triazol-3-amine
CID 72739062
5-(Heptadec-8,11-dienyl)-1h-1,2,4-triazol-3-amine
CID 168268284
5-[(E)-heptadec-8-enyl]-1H-1,2,4-triazol-3-amine
CID 14767756
5-[(Z)-heptadec-8-enyl]-1H-1,2,4-triazol-3-amine
CID 14767757
5-[(Z)-octadec-9-enyl]-1H-1,2,4-triazol-3-amine
CID 44603845
5-octadec-9-enyl-1H-1,2,4-triazol-3-amine
CID 54464947
4-(3-pentyl-1H-1,2,4-triazol-5-yl)but-2-enenitrile
CID 67753984
3-hex-5-en-2-yl-5-methyl-1H-1,2,4-triazole
CID 88985313
5-cyclohex-3-en-1-yl-1H-1,2,4-triazole
CID 91374929
5-(1-amino-3-methylpent-4-enyl)-1H-1,2,4-triazol-3-amine
CID 123972560
3-[(Z)-3-methylhex-1-enyl]-5-pentan-2-yl-1,2,4-triazol-4-amine
CID 130374438
5-cyclohept-4-en-1-yl-1H-1,2,4-triazole
CID 142256716

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine?
The IUPAC name of (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine (CID 163878218) is (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine.
What is the SMILES notation for (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine?
The canonical SMILES for (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine is CC/C=C\CCC(CCCN)c1n[nH]c(C)n1.
What is the InChIKey of (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine?
The InChIKey is PQTVYAPKTWBPDA-PLNGDYQASA-N. The full InChI is InChI=1S/C13H24N4/c1-3-4-5-6-8-12(9-7-10-14)13-15-11(2)16-17-13/h4-5,12H,3,6-10,14H2,1-2H3,(H,15,16,17)/b5-4-.
What are the key properties of (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine?
(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine is sourced from PubChem (CID 163878218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).