2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine

C3H6N6 — CID 45039688

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine
SMILES[2H]N([2H])c1nc(N([2H])[2H])nc(N([2H])[2H])n1
InChIInChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i/hD6
InChIKeyJDSHMPZPIAZGSV-YIKVAAQNSA-N
MW132.16 g/mol
LogP-1.38
Rot. Bonds3

About 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine (PubChem CID 45039688) has the molecular formula C3H6N6 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine
PubChem CID45039688
Molecular FormulaC3H6N6
Molecular Weight132.16 g/mol
Exact Mass132.10
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine
SMILES[2H]N([2H])c1nc(N([2H])[2H])nc(N([2H])[2H])n1
InChIInChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i/hD6
InChIKeyJDSHMPZPIAZGSV-YIKVAAQNSA-N
XLogP-1.38
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine (CID 45039688) is 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine is [2H]N([2H])c1nc(N([2H])[2H])nc(N([2H])[2H])n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JDSHMPZPIAZGSV-YIKVAAQNSA-N. The full InChI is InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i/hD6.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine has a molecular weight of 132.16 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexadeuterio-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 45039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).