6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine

C8H12N6 — CID 20535131

IUPAC6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(N2CC=CCC2)n1
InChIInChI=1S/C8H12N6/c9-6-11-7(10)13-8(12-6)14-4-2-1-3-5-14/h1-2H,3-5H2,(H4,9,10,11,12,13)
InChIKeyVPLVWSPXDCSNQI-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.20
Rot. Bonds1

About 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine

6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 20535131) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID20535131
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(N2CC=CCC2)n1
InChIInChI=1S/C8H12N6/c9-6-11-7(10)13-8(12-6)14-4-2-1-3-5-14/h1-2H,3-5H2,(H4,9,10,11,12,13)
InChIKeyVPLVWSPXDCSNQI-UHFFFAOYSA-N
XLogP-0.20
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine (CID 20535131) is 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(N2CC=CCC2)n1.
What is the InChIKey of 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VPLVWSPXDCSNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c9-6-11-7(10)13-8(12-6)14-4-2-1-3-5-14/h1-2H,3-5H2,(H4,9,10,11,12,13).
What are the key properties of 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine?
6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 192.23 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20535131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).