4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline

C16H24N4 — CID 62722337

IUPAC4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
SMILESCc1ccc(NCCc2nc(CC(C)C)nn2C)cc1
InChIInChI=1S/C16H24N4/c1-12(2)11-15-18-16(20(4)19-15)9-10-17-14-7-5-13(3)6-8-14/h5-8,12,17H,9-11H2,1-4H3
InChIKeyKWRFIYYDSLJQHA-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.98
Rot. Bonds6

About 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline

4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline (PubChem CID 62722337) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
PubChem CID62722337
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
SMILESCc1ccc(NCCc2nc(CC(C)C)nn2C)cc1
InChIInChI=1S/C16H24N4/c1-12(2)11-15-18-16(20(4)19-15)9-10-17-14-7-5-13(3)6-8-14/h5-8,12,17H,9-11H2,1-4H3
InChIKeyKWRFIYYDSLJQHA-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 62722497
4-methyl-N-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 54924497
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-4-methylaniline
CID 62566821
[1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 82468057
N-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
CID 62721404
3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55111099
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 63104702
N-[2-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]-4-methylaniline
CID 53264442
2-(4-methylanilino)ethanethiol
CID 13460852
5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine
CID 65416617

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline (CID 62722337) is 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline is Cc1ccc(NCCc2nc(CC(C)C)nn2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline?
The InChIKey is KWRFIYYDSLJQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)11-15-18-16(20(4)19-15)9-10-17-14-7-5-13(3)6-8-14/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline?
4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline is sourced from PubChem (CID 62722337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).