N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline

C17H18N4 — CID 3804113

IUPACN-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline
SMILESCC(C)=C(N(C)c1ccccc1)n1nc2ccccc2n1
InChIInChI=1S/C17H18N4/c1-13(2)17(20(3)14-9-5-4-6-10-14)21-18-15-11-7-8-12-16(15)19-21/h4-12H,1-3H3
InChIKeyHQZFRWAMYUGQTH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline

N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline (PubChem CID 3804113) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline.

Molecular Properties

Compound NameN-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline
PubChem CID3804113
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline
SMILESCC(C)=C(N(C)c1ccccc1)n1nc2ccccc2n1
InChIInChI=1S/C17H18N4/c1-13(2)17(20(3)14-9-5-4-6-10-14)21-18-15-11-7-8-12-16(15)19-21/h4-12H,1-3H3
InChIKeyHQZFRWAMYUGQTH-UHFFFAOYSA-N
XLogP3.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzotriazole-2-carboxylic acid;ethane
CID 90724390
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1,3-dimethyl-1,3-diphenylselenourea
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4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide
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CID 110856918
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline
CID 4269444
1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea
CID 70521806
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline?
The IUPAC name of N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline (CID 3804113) is N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline.
What is the SMILES notation for N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline?
The canonical SMILES for N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline is CC(C)=C(N(C)c1ccccc1)n1nc2ccccc2n1.
What is the InChIKey of N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline?
The InChIKey is HQZFRWAMYUGQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13(2)17(20(3)14-9-5-4-6-10-14)21-18-15-11-7-8-12-16(15)19-21/h4-12H,1-3H3.
What are the key properties of N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline?
N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline has a molecular weight of 278.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-2-yl)-2-methylprop-1-enyl]-N-methylaniline is sourced from PubChem (CID 3804113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).