N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline

C13H18N4 — CID 82474594

IUPACN-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCNc1cccc(-c2nc(C(C)C)nn2C)c1
InChIInChI=1S/C13H18N4/c1-9(2)12-15-13(17(4)16-12)10-6-5-7-11(8-10)14-3/h5-9,14H,1-4H3
InChIKeyBCWNETMXTCVCFD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.65
Rot. Bonds3

About N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline

N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline (PubChem CID 82474594) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
PubChem CID82474594
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCNc1cccc(-c2nc(C(C)C)nn2C)c1
InChIInChI=1S/C13H18N4/c1-9(2)12-15-13(17(4)16-12)10-6-5-7-11(8-10)14-3/h5-9,14H,1-4H3
InChIKeyBCWNETMXTCVCFD-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 63154330
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
N-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 116989693
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763
3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5-(trifluoromethyl)aniline
CID 62721430
3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 84707601
acetaldehyde;N-methyl-3-(3-methylphenyl)aniline
CID 142087034
4-fluoro-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62720704
N-methyl-2-phenylquinolin-7-amine
CID 142776720
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
N-methyl-3-(1,3,5-triazin-2-yl)aniline
CID 82468537

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline (CID 82474594) is N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline is CNc1cccc(-c2nc(C(C)C)nn2C)c1.
What is the InChIKey of N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The InChIKey is BCWNETMXTCVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)12-15-13(17(4)16-12)10-6-5-7-11(8-10)14-3/h5-9,14H,1-4H3.
What are the key properties of N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline has a molecular weight of 230.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 82474594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).