1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone

C17H15N5O — CID 4592804

IUPAC1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NC=Cc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H15N5O/c1-13(23)14-6-5-7-15(12-14)18-11-10-17-19-20-21-22(17)16-8-3-2-4-9-16/h2-12,18H,1H3
InChIKeySNTYGHVWKAJABG-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone

1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone (PubChem CID 4592804) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
PubChem CID4592804
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NC=Cc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H15N5O/c1-13(23)14-6-5-7-15(12-14)18-11-10-17-19-20-21-22(17)16-8-3-2-4-9-16/h2-12,18H,1H3
InChIKeySNTYGHVWKAJABG-UHFFFAOYSA-N
XLogP2.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923
1-[3-[[(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 6031982
(E)-3-[1-(3-acetylphenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366534
[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
CID 6040171
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2430883
[2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]phenyl]-phenylmethanone
CID 2729156
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700
4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5378117
1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone (CID 4592804) is 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone is CC(=O)c1cccc(NC=Cc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone?
The InChIKey is SNTYGHVWKAJABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-13(23)14-6-5-7-15(12-14)18-11-10-17-19-20-21-22(17)16-8-3-2-4-9-16/h2-12,18H,1H3.
What are the key properties of 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone?
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone has a molecular weight of 305.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone is sourced from PubChem (CID 4592804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).