(4,6-diamino-1,3,5-triazin-2-yl)urea

C4H7N7O — CID 14438739

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)urea
SMILESNC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H7N7O/c5-1-8-2(6)10-4(9-1)11-3(7)12/h(H7,5,6,7,8,9,10,11,12)
InChIKeyUROVNNMQBJLRGG-UHFFFAOYSA-N
MW169.15 g/mol
LogP-1.47
Rot. Bonds1

About (4,6-diamino-1,3,5-triazin-2-yl)urea

(4,6-diamino-1,3,5-triazin-2-yl)urea (PubChem CID 14438739) has the molecular formula C4H7N7O and a molecular weight of 169.15 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)urea
PubChem CID14438739
Molecular FormulaC4H7N7O
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)urea
SMILESNC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H7N7O/c5-1-8-2(6)10-4(9-1)11-3(7)12/h(H7,5,6,7,8,9,10,11,12)
InChIKeyUROVNNMQBJLRGG-UHFFFAOYSA-N
XLogP-1.47
TPSA145.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (4,6-diamino-1,3,5-triazin-2-yl)urea 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 (4,6-diamino-1,3,5-triazin-2-yl)urea?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)urea (CID 14438739) is (4,6-diamino-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)urea?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)urea is NC(=O)Nc1nc(N)nc(N)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)urea?
The InChIKey is UROVNNMQBJLRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N7O/c5-1-8-2(6)10-4(9-1)11-3(7)12/h(H7,5,6,7,8,9,10,11,12).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)urea?
(4,6-diamino-1,3,5-triazin-2-yl)urea has a molecular weight of 169.15 g/mol, XLogP of -1.47, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 14438739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).