carbamic acid;1,3,5-triazine-2,4,6-triamine

C4H9N7O2 — CID 66589829

IUPACcarbamic acid;1,3,5-triazine-2,4,6-triamine
SMILESNC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH3NO2/c4-1-7-2(5)9-3(6)8-1;2-1(3)4/h(H6,4,5,6,7,8,9);2H2,(H,3,4)
InChIKeyJEAVSZCYOGCXEB-UHFFFAOYSA-N
MW187.16 g/mol
LogP-1.76
Rot. Bonds

About carbamic acid;1,3,5-triazine-2,4,6-triamine

carbamic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 66589829) has the molecular formula C4H9N7O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is carbamic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecarbamic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID66589829
Molecular FormulaC4H9N7O2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Namecarbamic acid;1,3,5-triazine-2,4,6-triamine
SMILESNC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH3NO2/c4-1-7-2(5)9-3(6)8-1;2-1(3)4/h(H6,4,5,6,7,8,9);2H2,(H,3,4)
InChIKeyJEAVSZCYOGCXEB-UHFFFAOYSA-N
XLogP-1.76
TPSA180.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze carbamic acid;1,3,5-triazine-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 carbamic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of carbamic acid;1,3,5-triazine-2,4,6-triamine (CID 66589829) is carbamic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for carbamic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for carbamic acid;1,3,5-triazine-2,4,6-triamine is NC(=O)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of carbamic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is JEAVSZCYOGCXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH3NO2/c4-1-7-2(5)9-3(6)8-1;2-1(3)4/h(H6,4,5,6,7,8,9);2H2,(H,3,4).
What are the key properties of carbamic acid;1,3,5-triazine-2,4,6-triamine?
carbamic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 187.16 g/mol, XLogP of -1.76, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66589829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).