3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine

C7H16N6 — CID 10932107

IUPAC3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)CCCNc1n[nH]c(N)n1
InChIInChI=1S/C7H16N6/c1-13(2)5-3-4-9-7-10-6(8)11-12-7/h3-5H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyUVNGMFCPDCPFSU-UHFFFAOYSA-N
MW184.25 g/mol
LogP-0.25
Rot. Bonds5

About 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 10932107) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID10932107
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC Name3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCN(C)CCCNc1n[nH]c(N)n1
InChIInChI=1S/C7H16N6/c1-13(2)5-3-4-9-7-10-6(8)11-12-7/h3-5H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyUVNGMFCPDCPFSU-UHFFFAOYSA-N
XLogP-0.25
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-[3-(dimethylamino)propyl]-1H-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 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine (CID 10932107) is 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine is CN(C)CCCNc1n[nH]c(N)n1.
What is the InChIKey of 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is UVNGMFCPDCPFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6/c1-13(2)5-3-4-9-7-10-6(8)11-12-7/h3-5H2,1-2H3,(H4,8,9,10,11,12).
What are the key properties of 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 184.25 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(dimethylamino)propyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 10932107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).