(NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine

C15H12FN5O — CID 155663054

IUPAC(NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1nnnn1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN5O/c16-13-8-6-11(7-9-13)10-21-15(17-19-20-21)14(18-22)12-4-2-1-3-5-12/h1-9,22H,10H2/b18-14-
InChIKeyAKLSUJXKNUEJIQ-JXAWBTAJSA-N
MW297.29 g/mol
LogP2.09
Rot. Bonds4

About (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine

(NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine (PubChem CID 155663054) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine
PubChem CID155663054
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC Name(NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1nnnn1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN5O/c16-13-8-6-11(7-9-13)10-21-15(17-19-20-21)14(18-22)12-4-2-1-3-5-12/h1-9,22H,10H2/b18-14-
InChIKeyAKLSUJXKNUEJIQ-JXAWBTAJSA-N
XLogP2.09
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
CID 12012844
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
1-benzyltetrazole-5-carboxamide
CID 122714819
2-(1-benzyltetrazol-5-yl)-1-phenyl-2-(triphenyl-λ5-phosphanylidene)ethanone
CID 132934520
1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354570
benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium
CID 7140457
(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135678633
1-benzyl-5-chlorotetrazole
CID 46835417
4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 61352207
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine (CID 155663054) is (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine is O/N=C(/c1ccccc1)c1nnnn1Cc1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine?
The InChIKey is AKLSUJXKNUEJIQ-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-13-8-6-11(7-9-13)10-21-15(17-19-20-21)14(18-22)12-4-2-1-3-5-12/h1-9,22H,10H2/b18-14-.
What are the key properties of (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine?
(NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine has a molecular weight of 297.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 155663054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).