1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C8H15N7O — CID 20572113

IUPAC1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N2CCN(C)CC2)nc(N)n1O
InChIInChI=1S/C8H15N7O/c1-13-2-4-14(5-3-13)8-11-6(9)15(16)7(10)12-8/h16H,2-5H2,1H3,(H3,9,10,11,12)
InChIKeyVFVXPOZYODVVRI-UHFFFAOYSA-N
MW225.26 g/mol
LogP-1.67
Rot. Bonds1

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

1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 20572113) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID20572113
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N2CCN(C)CC2)nc(N)n1O
InChIInChI=1S/C8H15N7O/c1-13-2-4-14(5-3-13)8-11-6(9)15(16)7(10)12-8/h16H,2-5H2,1H3,(H3,9,10,11,12)
InChIKeyVFVXPOZYODVVRI-UHFFFAOYSA-N
XLogP-1.67
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 20572113) is 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is [H]/N=c1\nc(N2CCN(C)CC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is VFVXPOZYODVVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-13-2-4-14(5-3-13)8-11-6(9)15(16)7(10)12-8/h16H,2-5H2,1H3,(H3,9,10,11,12).
What are the key properties of 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 225.26 g/mol, XLogP of -1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-imino-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 20572113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).