N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine

C12H15N5 — CID 557780

IUPACN,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine
SMILESCc1ccc(-n2nnnc2C=CN(C)C)cc1
InChIInChI=1S/C12H15N5/c1-10-4-6-11(7-5-10)17-12(13-14-15-17)8-9-16(2)3/h4-9H,1-3H3
InChIKeySSWJWJCISJSIKK-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.50
Rot. Bonds3

About N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine

N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine (PubChem CID 557780) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine
PubChem CID557780
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine
SMILESCc1ccc(-n2nnnc2C=CN(C)C)cc1
InChIInChI=1S/C12H15N5/c1-10-4-6-11(7-5-10)17-12(13-14-15-17)8-9-16(2)3/h4-9H,1-3H3
InChIKeySSWJWJCISJSIKK-UHFFFAOYSA-N
XLogP1.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
diethyl-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]azanium
CID 7177115
1-(4-methylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92956545
N-[(E)-2-[1-(4-iodophenyl)tetrazol-5-yl]ethenyl]-N-methylaniline
CID 14439385
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
1-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7201534
(E)-3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366492
1-(3-chlorophenyl)-4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]piperazin-4-ium
CID 7225537
1-(4-ethylphenyl)-5-[(Z)-2-pyrrolidin-1-ylethenyl]tetrazole
CID 92965167
N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 14439386
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine?
The IUPAC name of N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine (CID 557780) is N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine?
The canonical SMILES for N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine is Cc1ccc(-n2nnnc2C=CN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine?
The InChIKey is SSWJWJCISJSIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-10-4-6-11(7-5-10)17-12(13-14-15-17)8-9-16(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine?
N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine has a molecular weight of 229.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenamine is sourced from PubChem (CID 557780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).