carbamic acid;1,3,5-triazine

C6H12N6O6 — CID 23297040

IUPACcarbamic acid;1,3,5-triazine
SMILESNC(=O)O.NC(=O)O.NC(=O)O.c1ncncn1
InChIInChI=1S/C3H3N3.3CH3NO2/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*2H2,(H,3,4)
InChIKeyQDDKNMYOEKFPQK-UHFFFAOYSA-N
MW264.20 g/mol
LogP-1.26
Rot. Bonds

About carbamic acid;1,3,5-triazine

carbamic acid;1,3,5-triazine (PubChem CID 23297040) has the molecular formula C6H12N6O6 and a molecular weight of 264.20 g/mol. Its IUPAC name is carbamic acid;1,3,5-triazine.

Molecular Properties

Compound Namecarbamic acid;1,3,5-triazine
PubChem CID23297040
Molecular FormulaC6H12N6O6
Molecular Weight264.20 g/mol
Exact Mass264.08
IUPAC Namecarbamic acid;1,3,5-triazine
SMILESNC(=O)O.NC(=O)O.NC(=O)O.c1ncncn1
InChIInChI=1S/C3H3N3.3CH3NO2/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*2H2,(H,3,4)
InChIKeyQDDKNMYOEKFPQK-UHFFFAOYSA-N
XLogP-1.26
TPSA228.63 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;1,3,5-triazine?
The IUPAC name of carbamic acid;1,3,5-triazine (CID 23297040) is carbamic acid;1,3,5-triazine.
What is the SMILES notation for carbamic acid;1,3,5-triazine?
The canonical SMILES for carbamic acid;1,3,5-triazine is NC(=O)O.NC(=O)O.NC(=O)O.c1ncncn1.
What is the InChIKey of carbamic acid;1,3,5-triazine?
The InChIKey is QDDKNMYOEKFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.3CH3NO2/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*2H2,(H,3,4).
What are the key properties of carbamic acid;1,3,5-triazine?
carbamic acid;1,3,5-triazine has a molecular weight of 264.20 g/mol, XLogP of -1.26, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1,3,5-triazine is sourced from PubChem (CID 23297040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).