N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine

C17H14N6O — CID 142938801

IUPACN-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine
SMILESC=C(c1ccc(NO)cc1)n1ccc2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C17H14N6O/c1-11(12-2-5-15(20-24)6-3-12)23-9-8-13-10-14(4-7-16(13)23)17-18-21-22-19-17/h2-10,20,24H,1H2,(H,18,19,21,22)
InChIKeyMZXRZNSDZUPUSE-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.14
Rot. Bonds4

About N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine

N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine (PubChem CID 142938801) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine
PubChem CID142938801
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine
SMILESC=C(c1ccc(NO)cc1)n1ccc2cc(-c3nn[nH]n3)ccc21
InChIInChI=1S/C17H14N6O/c1-11(12-2-5-15(20-24)6-3-12)23-9-8-13-10-14(4-7-16(13)23)17-18-21-22-19-17/h2-10,20,24H,1H2,(H,18,19,21,22)
InChIKeyMZXRZNSDZUPUSE-UHFFFAOYSA-N
XLogP3.14
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine?
The IUPAC name of N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine (CID 142938801) is N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine?
The canonical SMILES for N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine is C=C(c1ccc(NO)cc1)n1ccc2cc(-c3nn[nH]n3)ccc21.
What is the InChIKey of N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine?
The InChIKey is MZXRZNSDZUPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-11(12-2-5-15(20-24)6-3-12)23-9-8-13-10-14(4-7-16(13)23)17-18-21-22-19-17/h2-10,20,24H,1H2,(H,18,19,21,22).
What are the key properties of N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine?
N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine has a molecular weight of 318.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[5-(2H-tetrazol-5-yl)indol-1-yl]ethenyl]phenyl]hydroxylamine is sourced from PubChem (CID 142938801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).