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

C6H12N6O9 — CID 23120468

IUPACcarbonic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C3H6N6.3CH2O3/c4-1-7-2(5)9-3(6)8-1;3*2-1(3)4/h(H6,4,5,6,7,8,9);3*(H2,2,3,4)
InChIKeyDUEAWWTZLIVUGJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP-0.71
Rot. Bonds

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

carbonic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 23120468) has the molecular formula C6H12N6O9 and a molecular weight of 312.20 g/mol. Its IUPAC name is carbonic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecarbonic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID23120468
Molecular FormulaC6H12N6O9
Molecular Weight312.20 g/mol
Exact Mass312.07
IUPAC Namecarbonic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C3H6N6.3CH2O3/c4-1-7-2(5)9-3(6)8-1;3*2-1(3)4/h(H6,4,5,6,7,8,9);3*(H2,2,3,4)
InChIKeyDUEAWWTZLIVUGJ-UHFFFAOYSA-N
XLogP-0.71
TPSA289.32 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of carbonic acid;1,3,5-triazine-2,4,6-triamine (CID 23120468) is carbonic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for carbonic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for carbonic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C(O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is DUEAWWTZLIVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.3CH2O3/c4-1-7-2(5)9-3(6)8-1;3*2-1(3)4/h(H6,4,5,6,7,8,9);3*(H2,2,3,4).
What are the key properties of carbonic acid;1,3,5-triazine-2,4,6-triamine?
carbonic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 312.20 g/mol, XLogP of -0.71, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23120468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).