4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline

C16H15N5 — CID 5368329

IUPAC4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
SMILESCc1ccc(N/C=C\c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N5/c1-13-7-9-14(10-8-13)17-12-11-16-18-19-20-21(16)15-5-3-2-4-6-15/h2-12,17H,1H3/b12-11-
InChIKeyGGJIMJISQJCYFP-QXMHVHEDSA-N
MW277.33 g/mol
LogP3.05
Rot. Bonds4

About 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline

4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline (PubChem CID 5368329) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
PubChem CID5368329
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
SMILESCc1ccc(N/C=C\c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N5/c1-13-7-9-14(10-8-13)17-12-11-16-18-19-20-21(16)15-5-3-2-4-6-15/h2-12,17H,1H3/b12-11-
InChIKeyGGJIMJISQJCYFP-QXMHVHEDSA-N
XLogP3.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The IUPAC name of 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline (CID 5368329) is 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline.
What is the SMILES notation for 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The canonical SMILES for 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is Cc1ccc(N/C=C\c2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
The InChIKey is GGJIMJISQJCYFP-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H15N5/c1-13-7-9-14(10-8-13)17-12-11-16-18-19-20-21(16)15-5-3-2-4-6-15/h2-12,17H,1H3/b12-11-.
What are the key properties of 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline?
4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline has a molecular weight of 277.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 5368329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).