N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine

C10H10N4O — CID 88645908

IUPACN-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine
SMILESON=C(Cc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C10H10N4O/c15-14-9(6-10-11-7-12-13-10)8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H,11,12,13)
InChIKeyPDMIVYWVRMEJEH-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.23
Rot. Bonds3

About N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine

N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine (PubChem CID 88645908) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine
PubChem CID88645908
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine
SMILESON=C(Cc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C10H10N4O/c15-14-9(6-10-11-7-12-13-10)8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H,11,12,13)
InChIKeyPDMIVYWVRMEJEH-UHFFFAOYSA-N
XLogP1.23
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine (CID 88645908) is N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine is ON=C(Cc1ncn[nH]1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is PDMIVYWVRMEJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-14-9(6-10-11-7-12-13-10)8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H,11,12,13).
What are the key properties of N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine?
N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 202.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 88645908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).