(2,4,6-13C3)1,3,5-triazine-2,4,6-triamine

C3H6N6 — CID 71309406

IUPAC(2,4,6-13C3)1,3,5-triazine-2,4,6-triamine
SMILESN[13c]1n[13c](N)n[13c](N)n1
InChIInChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKeyJDSHMPZPIAZGSV-VMIGTVKRSA-N
MW129.10 g/mol
LogP-1.38
Rot. Bonds

About (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine

(2,4,6-13C3)1,3,5-triazine-2,4,6-triamine (PubChem CID 71309406) has the molecular formula C3H6N6 and a molecular weight of 129.10 g/mol. Its IUPAC name is (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name(2,4,6-13C3)1,3,5-triazine-2,4,6-triamine
PubChem CID71309406
Molecular FormulaC3H6N6
Molecular Weight129.10 g/mol
Exact Mass129.08
IUPAC Name(2,4,6-13C3)1,3,5-triazine-2,4,6-triamine
SMILESN[13c]1n[13c](N)n[13c](N)n1
InChIInChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKeyJDSHMPZPIAZGSV-VMIGTVKRSA-N
XLogP-1.38
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.10
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine?
The IUPAC name of (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine (CID 71309406) is (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine is N[13c]1n[13c](N)n[13c](N)n1.
What is the InChIKey of (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine?
The InChIKey is JDSHMPZPIAZGSV-VMIGTVKRSA-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)/i1+1,2+1,3+1.
What are the key properties of (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine?
(2,4,6-13C3)1,3,5-triazine-2,4,6-triamine has a molecular weight of 129.10 g/mol, XLogP of -1.38, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-13C3)1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 71309406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).