N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine

C9H18N6O — CID 90175544

IUPACN-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCCNc1nc(NO)nc(NC(C)C)n1
InChIInChI=1S/C9H18N6O/c1-4-5-10-7-12-8(11-6(2)3)14-9(13-7)15-16/h6,16H,4-5H2,1-3H3,(H3,10,11,12,13,14,15)
InChIKeyVHTXEHNOKQVSEK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.31
Rot. Bonds6

About N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine

N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 90175544) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID90175544
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC NameN-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESCCCNc1nc(NO)nc(NC(C)C)n1
InChIInChI=1S/C9H18N6O/c1-4-5-10-7-12-8(11-6(2)3)14-9(13-7)15-16/h6,16H,4-5H2,1-3H3,(H3,10,11,12,13,14,15)
InChIKeyVHTXEHNOKQVSEK-UHFFFAOYSA-N
XLogP1.31
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine (CID 90175544) is N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine is CCCNc1nc(NO)nc(NC(C)C)n1.
What is the InChIKey of N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is VHTXEHNOKQVSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-4-5-10-7-12-8(11-6(2)3)14-9(13-7)15-16/h6,16H,4-5H2,1-3H3,(H3,10,11,12,13,14,15).
What are the key properties of N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 226.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 90175544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).