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

C4H7N5O — CID 10630590

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)methanol
SMILESNc1nc(N)nc(CO)n1
InChIInChI=1S/C4H7N5O/c5-3-7-2(1-10)8-4(6)9-3/h10H,1H2,(H4,5,6,7,8,9)
InChIKeyIPJDRHUDNCTTKA-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.47
Rot. Bonds1

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

(4,6-diamino-1,3,5-triazin-2-yl)methanol (PubChem CID 10630590) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)methanol.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)methanol
PubChem CID10630590
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)methanol
SMILESNc1nc(N)nc(CO)n1
InChIInChI=1S/C4H7N5O/c5-3-7-2(1-10)8-4(6)9-3/h10H,1H2,(H4,5,6,7,8,9)
InChIKeyIPJDRHUDNCTTKA-UHFFFAOYSA-N
XLogP-1.47
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4,6-diamino-1,3,5-triazin-2-yl)methanol 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)methanol?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methanol (CID 10630590) is (4,6-diamino-1,3,5-triazin-2-yl)methanol.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)methanol?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)methanol is Nc1nc(N)nc(CO)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)methanol?
The InChIKey is IPJDRHUDNCTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-3-7-2(1-10)8-4(6)9-3/h10H,1H2,(H4,5,6,7,8,9).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)methanol?
(4,6-diamino-1,3,5-triazin-2-yl)methanol has a molecular weight of 141.13 g/mol, XLogP of -1.47, 1 rotatable bonds, 3 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)methanol is sourced from PubChem (CID 10630590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).