3-methyl-1,3,5-triazinan-1-amine

C4H12N4 — CID 144981078

IUPAC3-methyl-1,3,5-triazinan-1-amine
SMILESCN1CNCN(N)C1
InChIInChI=1S/C4H12N4/c1-7-2-6-3-8(5)4-7/h6H,2-5H2,1H3
InChIKeyGNJXRJYYJZGCNB-UHFFFAOYSA-N
MW116.17 g/mol
LogP-1.43
Rot. Bonds

About 3-methyl-1,3,5-triazinan-1-amine

3-methyl-1,3,5-triazinan-1-amine (PubChem CID 144981078) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 3-methyl-1,3,5-triazinan-1-amine.

Molecular Properties

Compound Name3-methyl-1,3,5-triazinan-1-amine
PubChem CID144981078
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name3-methyl-1,3,5-triazinan-1-amine
SMILESCN1CNCN(N)C1
InChIInChI=1S/C4H12N4/c1-7-2-6-3-8(5)4-7/h6H,2-5H2,1H3
InChIKeyGNJXRJYYJZGCNB-UHFFFAOYSA-N
XLogP-1.43
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-1,3,5-triazinan-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3,5-triazinan-1-amine?
The IUPAC name of 3-methyl-1,3,5-triazinan-1-amine (CID 144981078) is 3-methyl-1,3,5-triazinan-1-amine.
What is the SMILES notation for 3-methyl-1,3,5-triazinan-1-amine?
The canonical SMILES for 3-methyl-1,3,5-triazinan-1-amine is CN1CNCN(N)C1.
What is the InChIKey of 3-methyl-1,3,5-triazinan-1-amine?
The InChIKey is GNJXRJYYJZGCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-7-2-6-3-8(5)4-7/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-1,3,5-triazinan-1-amine?
3-methyl-1,3,5-triazinan-1-amine has a molecular weight of 116.17 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3,5-triazinan-1-amine is sourced from PubChem (CID 144981078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).