1-dodecyl-1,2,4-triazole-3,5-diamine

C14H29N5 — CID 11129290

IUPAC1-dodecyl-1,2,4-triazole-3,5-diamine
SMILESCCCCCCCCCCCCn1nc(N)nc1N
InChIInChI=1S/C14H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(16)17-13(15)18-19/h2-12H2,1H3,(H4,15,16,17,18)
InChIKeyUWNVDVNPQBGXLF-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.36
Rot. Bonds11

About 1-dodecyl-1,2,4-triazole-3,5-diamine

1-dodecyl-1,2,4-triazole-3,5-diamine (PubChem CID 11129290) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-dodecyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-dodecyl-1,2,4-triazole-3,5-diamine
PubChem CID11129290
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name1-dodecyl-1,2,4-triazole-3,5-diamine
SMILESCCCCCCCCCCCCn1nc(N)nc1N
InChIInChI=1S/C14H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(16)17-13(15)18-19/h2-12H2,1H3,(H4,15,16,17,18)
InChIKeyUWNVDVNPQBGXLF-UHFFFAOYSA-N
XLogP3.36
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-dodecyl-1,2,4-triazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-dodecyl-1,2,4-triazole-3,5-diamine (CID 11129290) is 1-dodecyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-dodecyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-dodecyl-1,2,4-triazole-3,5-diamine is CCCCCCCCCCCCn1nc(N)nc1N.
What is the InChIKey of 1-dodecyl-1,2,4-triazole-3,5-diamine?
The InChIKey is UWNVDVNPQBGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(16)17-13(15)18-19/h2-12H2,1H3,(H4,15,16,17,18).
What are the key properties of 1-dodecyl-1,2,4-triazole-3,5-diamine?
1-dodecyl-1,2,4-triazole-3,5-diamine has a molecular weight of 267.42 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 11129290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).