(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine

C12H12N4O — CID 7130902

IUPAC(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine
SMILESO/N=C\C=C\c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H12N4O/c17-13-8-4-7-12-10-16(15-14-12)9-11-5-2-1-3-6-11/h1-8,10,17H,9H2/b7-4+,13-8-
InChIKeyRRCBRUQXMGOFAY-XOHVCTMJSA-N
MW228.26 g/mol
LogP1.80
Rot. Bonds4

About (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine

(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine (PubChem CID 7130902) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine
PubChem CID7130902
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine
SMILESO/N=C\C=C\c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H12N4O/c17-13-8-4-7-12-10-16(15-14-12)9-11-5-2-1-3-6-11/h1-8,10,17H,9H2/b7-4+,13-8-
InChIKeyRRCBRUQXMGOFAY-XOHVCTMJSA-N
XLogP1.80
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.80
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

N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline
CID 9350632
(Z)-3-(1-benzyltriazol-4-yl)prop-2-enal
CID 25323162
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-3-chloroaniline
CID 9211953
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-hydroxybenzamide
CID 9212475
3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 171149279
(E)-3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 154884212
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-methylfuran-3-carboxamide
CID 9231287
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 9240820
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-4-ethoxybenzamide
CID 9231357
3-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9238289
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217455
(3S)-N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9215011

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine (CID 7130902) is (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine is O/N=C\C=C\c1cn(Cc2ccccc2)nn1.
What is the InChIKey of (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine?
The InChIKey is RRCBRUQXMGOFAY-XOHVCTMJSA-N. The full InChI is InChI=1S/C12H12N4O/c17-13-8-4-7-12-10-16(15-14-12)9-11-5-2-1-3-6-11/h1-8,10,17H,9H2/b7-4+,13-8-.
What are the key properties of (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine has a molecular weight of 228.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 7130902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).