1-hydroxy-1,3,5-triazinane-2,4,6-triamine

C3H12N6O — CID 150772393

IUPAC1-hydroxy-1,3,5-triazinane-2,4,6-triamine
SMILESNC1NC(N)N(O)C(N)N1
InChIInChI=1S/C3H12N6O/c4-1-7-2(5)9(10)3(6)8-1/h1-3,7-8,10H,4-6H2
InChIKeyKADDYZGHLNWYQC-UHFFFAOYSA-N
MW148.17 g/mol
LogP-3.40
Rot. Bonds

About 1-hydroxy-1,3,5-triazinane-2,4,6-triamine

1-hydroxy-1,3,5-triazinane-2,4,6-triamine (PubChem CID 150772393) has the molecular formula C3H12N6O and a molecular weight of 148.17 g/mol. Its IUPAC name is 1-hydroxy-1,3,5-triazinane-2,4,6-triamine.

Molecular Properties

Compound Name1-hydroxy-1,3,5-triazinane-2,4,6-triamine
PubChem CID150772393
Molecular FormulaC3H12N6O
Molecular Weight148.17 g/mol
Exact Mass148.11
IUPAC Name1-hydroxy-1,3,5-triazinane-2,4,6-triamine
SMILESNC1NC(N)N(O)C(N)N1
InChIInChI=1S/C3H12N6O/c4-1-7-2(5)9(10)3(6)8-1/h1-3,7-8,10H,4-6H2
InChIKeyKADDYZGHLNWYQC-UHFFFAOYSA-N
XLogP-3.40
TPSA125.59 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500148.17
LogP ≤ 5-3.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 1-hydroxy-1,3,5-triazinane-2,4,6-triamine 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-hydroxy-1,3,5-triazinane-2,4,6-triamine?
The IUPAC name of 1-hydroxy-1,3,5-triazinane-2,4,6-triamine (CID 150772393) is 1-hydroxy-1,3,5-triazinane-2,4,6-triamine.
What is the SMILES notation for 1-hydroxy-1,3,5-triazinane-2,4,6-triamine?
The canonical SMILES for 1-hydroxy-1,3,5-triazinane-2,4,6-triamine is NC1NC(N)N(O)C(N)N1.
What is the InChIKey of 1-hydroxy-1,3,5-triazinane-2,4,6-triamine?
The InChIKey is KADDYZGHLNWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N6O/c4-1-7-2(5)9(10)3(6)8-1/h1-3,7-8,10H,4-6H2.
What are the key properties of 1-hydroxy-1,3,5-triazinane-2,4,6-triamine?
1-hydroxy-1,3,5-triazinane-2,4,6-triamine has a molecular weight of 148.17 g/mol, XLogP of -3.40, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3,5-triazinane-2,4,6-triamine is sourced from PubChem (CID 150772393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).