N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine

C10H10N4O — CID 154208934

IUPACN-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c1-8(13-15)10-7-11-14(12-10)9-5-3-2-4-6-9/h2-7,15H,1H3
InChIKeyQUEKCNRLDNPMCA-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.47
Rot. Bonds2

About N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine

N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine (PubChem CID 154208934) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine
PubChem CID154208934
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c1-8(13-15)10-7-11-14(12-10)9-5-3-2-4-6-9/h2-7,15H,1H3
InChIKeyQUEKCNRLDNPMCA-UHFFFAOYSA-N
XLogP1.47
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

1-phenyl-1H-1,2,3-triazole-4-carbaldehyde oxime
CID 9559910
N-[(2-phenyl-2H-1,2,3-triazol-4-yl)methylidene]hydroxylamine
CID 135603818
2-phenyl-2H-1,2,3-triazole-4-carbonitrile
CID 3358673
4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
CID 708483
4-(2H-1,2,3-Triazol-2-yl)aniline
CID 15514363
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
2-Methyl-4-phenyl-1,2,3-triazole
CID 13610390
2-Ethyl-4-phenyltriazole
CID 71449346
2-(3-Fluorophenyl)triazole
CID 123365637
4-fluoro-N-[(E)-(2-phenyltriazol-4-yl)methylideneamino]aniline
CID 177656751
4-(Hydroxyimino)-2-phenyl-2,5,6,7-tetrahydrobenzotriazole
CID 135536526
2H-1,2,3-Triazole, 2-phenyl-, 1-oxide
CID 3395632

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine (CID 154208934) is N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine is CC(=NO)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine?
The InChIKey is QUEKCNRLDNPMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8(13-15)10-7-11-14(12-10)9-5-3-2-4-6-9/h2-7,15H,1H3.
What are the key properties of N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine?
N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine has a molecular weight of 202.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenyltriazol-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 154208934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).