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

C13H18N4 — CID 82474574

IUPAC2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCc1cc(-c2nc(C(C)C)n(C)n2)ccc1N
InChIInChI=1S/C13H18N4/c1-8(2)13-15-12(16-17(13)4)10-5-6-11(14)9(3)7-10/h5-8H,14H2,1-4H3
InChIKeyWBWBDTGCIBAXBT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds2

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

2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline (PubChem CID 82474574) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
PubChem CID82474574
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline
SMILESCc1cc(-c2nc(C(C)C)n(C)n2)ccc1N
InChIInChI=1S/C13H18N4/c1-8(2)13-15-12(16-17(13)4)10-5-6-11(14)9(3)7-10/h5-8H,14H2,1-4H3
InChIKeyWBWBDTGCIBAXBT-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 82489304
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
2-methyl-4-(1,3,5-triazin-2-yl)aniline
CID 82468520
2-methyl-4-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]aniline
CID 178019277
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605127
2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62721278
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-amino-3-methylphenyl)-2-methylaniline;formaldehyde
CID 165129640
5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 63469456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline (CID 82474574) is 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline is Cc1cc(-c2nc(C(C)C)n(C)n2)ccc1N.
What is the InChIKey of 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
The InChIKey is WBWBDTGCIBAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8(2)13-15-12(16-17(13)4)10-5-6-11(14)9(3)7-10/h5-8H,14H2,1-4H3.
What are the key properties of 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline?
2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline has a molecular weight of 230.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 82474574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).