1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone

C18H17N5O — CID 10403670

IUPAC1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C18H17N5O/c1-13-7-9-15(10-8-13)23-18(20-21-22-23)11-12-19-17-6-4-3-5-16(17)14(2)24/h3-12,19H,1-2H3/b12-11-
InChIKeyKHGZIVWCUWTFKK-QXMHVHEDSA-N
MW319.37 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone

1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone (PubChem CID 10403670) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
PubChem CID10403670
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C18H17N5O/c1-13-7-9-15(10-8-13)23-18(20-21-22-23)11-12-19-17-6-4-3-5-16(17)14(2)24/h3-12,19H,1-2H3/b12-11-
InChIKeyKHGZIVWCUWTFKK-QXMHVHEDSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
[2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]phenyl]-phenylmethanone
CID 2729156
[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
CID 10363707
[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
CID 6040171
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline
CID 593987
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
1-[6-[[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]amino]-1,3-benzodioxol-5-yl]ethanone
CID 11836085
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
The IUPAC name of 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone (CID 10403670) is 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone is CC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(C)cc1.
What is the InChIKey of 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
The InChIKey is KHGZIVWCUWTFKK-QXMHVHEDSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-7-9-15(10-8-13)23-18(20-21-22-23)11-12-19-17-6-4-3-5-16(17)14(2)24/h3-12,19H,1-2H3/b12-11-.
What are the key properties of 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone?
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone has a molecular weight of 319.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone is sourced from PubChem (CID 10403670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).