4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine

C8H12N6O — CID 20535091

IUPAC4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N2CC=CCC2)nc(N)n1O
InChIInChI=1S/C8H12N6O/c9-6-11-8(12-7(10)14(6)15)13-4-2-1-3-5-13/h1-2,15H,3-5H2,(H3,9,10,11,12)
InChIKeyXDHKNIUCIXIFRM-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.66
Rot. Bonds1

About 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine

4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine (PubChem CID 20535091) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
PubChem CID20535091
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N2CC=CCC2)nc(N)n1O
InChIInChI=1S/C8H12N6O/c9-6-11-8(12-7(10)14(6)15)13-4-2-1-3-5-13/h1-2,15H,3-5H2,(H3,9,10,11,12)
InChIKeyXDHKNIUCIXIFRM-UHFFFAOYSA-N
XLogP-0.66
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine (CID 20535091) is 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine is [H]/N=c1\nc(N2CC=CCC2)nc(N)n1O.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The InChIKey is XDHKNIUCIXIFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c9-6-11-8(12-7(10)14(6)15)13-4-2-1-3-5-13/h1-2,15H,3-5H2,(H3,9,10,11,12).
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine has a molecular weight of 208.22 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine is sourced from PubChem (CID 20535091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).