carbon dioxide;1,3,5-triazine-2,4,6-triamine

C4H6N6O2 — CID 159828298

IUPACcarbon dioxide;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C=O
InChIInChI=1S/C3H6N6.CO2/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);
InChIKeyNNDAYMUHWJFPLE-UHFFFAOYSA-N
MW170.13 g/mol
LogP-1.97
Rot. Bonds

About carbon dioxide;1,3,5-triazine-2,4,6-triamine

carbon dioxide;1,3,5-triazine-2,4,6-triamine (PubChem CID 159828298) has the molecular formula C4H6N6O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is carbon dioxide;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecarbon dioxide;1,3,5-triazine-2,4,6-triamine
PubChem CID159828298
Molecular FormulaC4H6N6O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Namecarbon dioxide;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C=O
InChIInChI=1S/C3H6N6.CO2/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);
InChIKeyNNDAYMUHWJFPLE-UHFFFAOYSA-N
XLogP-1.97
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of carbon dioxide;1,3,5-triazine-2,4,6-triamine (CID 159828298) is carbon dioxide;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for carbon dioxide;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for carbon dioxide;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C=O.
What is the InChIKey of carbon dioxide;1,3,5-triazine-2,4,6-triamine?
The InChIKey is NNDAYMUHWJFPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CO2/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);.
What are the key properties of carbon dioxide;1,3,5-triazine-2,4,6-triamine?
carbon dioxide;1,3,5-triazine-2,4,6-triamine has a molecular weight of 170.13 g/mol, XLogP of -1.97, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159828298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).