N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine

C8H9N5O — CID 84771781

IUPACN-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine
SMILESONCc1nnn(-c2ccccc2)n1
InChIInChI=1S/C8H9N5O/c14-9-6-8-10-12-13(11-8)7-4-2-1-3-5-7/h1-5,9,14H,6H2
InChIKeyYWVYXWIXXZFJTF-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.14
Rot. Bonds3

About N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine

N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine (PubChem CID 84771781) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine
PubChem CID84771781
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine
SMILESONCc1nnn(-c2ccccc2)n1
InChIInChI=1S/C8H9N5O/c14-9-6-8-10-12-13(11-8)7-4-2-1-3-5-7/h1-5,9,14H,6H2
InChIKeyYWVYXWIXXZFJTF-UHFFFAOYSA-N
XLogP0.14
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-dimethylpropyl)-2-phenyltetrazole
CID 69033317
2,4,6-triphenyl-1-[(2-phenyltetrazol-5-yl)methyl]pyridin-1-ium
CID 3695362
1,3-bis[(2-phenyltetrazol-5-yl)sulfanyl]propan-2-one
CID 57080774
N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid
CID 82307384
2-phenyl-N-propyltetrazole-5-carboxamide
CID 71791264
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid
CID 82289553
N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide
CID 576255
5-ethyl-2-(3-methylphenyl)tetrazole
CID 143793801
ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole
CID 142018776

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine (CID 84771781) is N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine is ONCc1nnn(-c2ccccc2)n1.
What is the InChIKey of N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine?
The InChIKey is YWVYXWIXXZFJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c14-9-6-8-10-12-13(11-8)7-4-2-1-3-5-7/h1-5,9,14H,6H2.
What are the key properties of N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine?
N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine has a molecular weight of 191.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 84771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).