4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline

C17H17N5O2 — CID 5378117

IUPAC4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
SMILESCOc1ccc(N/C=C\c2nnnn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17N5O2/c1-23-15-7-3-13(4-8-15)18-12-11-17-19-20-21-22(17)14-5-9-16(24-2)10-6-14/h3-12,18H,1-2H3/b12-11-
InChIKeyWDFORTCLLORSJQ-QXMHVHEDSA-N
MW323.36 g/mol
LogP2.76
Rot. Bonds6

About 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline

4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline (PubChem CID 5378117) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
PubChem CID5378117
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
SMILESCOc1ccc(N/C=C\c2nnnn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17N5O2/c1-23-15-7-3-13(4-8-15)18-12-11-17-19-20-21-22(17)14-5-9-16(24-2)10-6-14/h3-12,18H,1-2H3/b12-11-
InChIKeyWDFORTCLLORSJQ-QXMHVHEDSA-N
XLogP2.76
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol
CID 135533459
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700
1-[3-[[(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 6031982
2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 625468
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
CID 5369007
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
CID 20786906
4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
CID 5366938
1-(4-methoxyphenyl)-5-[[1-(4-methoxyphenyl)tetrazol-5-yl]methylidene]-4-propan-2-yltetrazole
CID 2850653
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline
CID 593987
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
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 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
The IUPAC name of 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline (CID 5378117) is 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
The canonical SMILES for 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline is COc1ccc(N/C=C\c2nnnn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
The InChIKey is WDFORTCLLORSJQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-23-15-7-3-13(4-8-15)18-12-11-17-19-20-21-22(17)14-5-9-16(24-2)10-6-14/h3-12,18H,1-2H3/b12-11-.
What are the key properties of 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline has a molecular weight of 323.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 5378117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).