carbamic acid;bis(1,3,5-triazine)

C9H15N9O6 — CID 67628263

IUPACcarbamic acid;bis(1,3,5-triazine)
SMILESNC(=O)O.NC(=O)O.NC(=O)O.c1ncncn1.c1ncncn1
InChIInChI=1S/2C3H3N3.3CH3NO2/c2*1-4-2-6-3-5-1;3*2-1(3)4/h2*1-3H;3*2H2,(H,3,4)
InChIKeyVPRLVJKFJSCQQB-UHFFFAOYSA-N
MW345.28 g/mol
LogP-1.39
Rot. Bonds

About carbamic acid;bis(1,3,5-triazine)

carbamic acid;bis(1,3,5-triazine) (PubChem CID 67628263) has the molecular formula C9H15N9O6 and a molecular weight of 345.28 g/mol. Its IUPAC name is carbamic acid;bis(1,3,5-triazine).

Molecular Properties

Compound Namecarbamic acid;bis(1,3,5-triazine)
PubChem CID67628263
Molecular FormulaC9H15N9O6
Molecular Weight345.28 g/mol
Exact Mass345.11
IUPAC Namecarbamic acid;bis(1,3,5-triazine)
SMILESNC(=O)O.NC(=O)O.NC(=O)O.c1ncncn1.c1ncncn1
InChIInChI=1S/2C3H3N3.3CH3NO2/c2*1-4-2-6-3-5-1;3*2-1(3)4/h2*1-3H;3*2H2,(H,3,4)
InChIKeyVPRLVJKFJSCQQB-UHFFFAOYSA-N
XLogP-1.39
TPSA267.30 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 5-1.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

Carbamic acid;1,3,5-triazine
CID 23297040
Carbamic acid;1,3,5-triazin-2-amine
CID 69340479
Carbamic acid;1,3,5-triazine
CID 70034709

Frequently Asked Questions

What is the IUPAC name of carbamic acid;bis(1,3,5-triazine)?
The IUPAC name of carbamic acid;bis(1,3,5-triazine) (CID 67628263) is carbamic acid;bis(1,3,5-triazine).
What is the SMILES notation for carbamic acid;bis(1,3,5-triazine)?
The canonical SMILES for carbamic acid;bis(1,3,5-triazine) is NC(=O)O.NC(=O)O.NC(=O)O.c1ncncn1.c1ncncn1.
What is the InChIKey of carbamic acid;bis(1,3,5-triazine)?
The InChIKey is VPRLVJKFJSCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3.3CH3NO2/c2*1-4-2-6-3-5-1;3*2-1(3)4/h2*1-3H;3*2H2,(H,3,4).
What are the key properties of carbamic acid;bis(1,3,5-triazine)?
carbamic acid;bis(1,3,5-triazine) has a molecular weight of 345.28 g/mol, XLogP of -1.39, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;bis(1,3,5-triazine) is sourced from PubChem (CID 67628263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).