5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole

C13H17N3 — CID 170030388

IUPAC5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
SMILESCc1cccc(-n2nnc(C(C)C)c2C)c1
InChIInChI=1S/C13H17N3/c1-9(2)13-11(4)16(15-14-13)12-7-5-6-10(3)8-12/h5-9H,1-4H3
InChIKeyAHEBCPJGOXMLCQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.01
Rot. Bonds2

About 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole

5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole (PubChem CID 170030388) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
PubChem CID170030388
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
SMILESCc1cccc(-n2nnc(C(C)C)c2C)c1
InChIInChI=1S/C13H17N3/c1-9(2)13-11(4)16(15-14-13)12-7-5-6-10(3)8-12/h5-9H,1-4H3
InChIKeyAHEBCPJGOXMLCQ-UHFFFAOYSA-N
XLogP3.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671298
4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole
CID 126742997
3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
CID 105472470
(2R)-3-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119368322
N-[1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671189
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
3-[5-methyl-1-(3-methylphenyl)triazol-4-yl]propanoic acid
CID 82198090
1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43328356
2-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 17015222
5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
CID 55880779
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole (CID 170030388) is 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole is Cc1cccc(-n2nnc(C(C)C)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole?
The InChIKey is AHEBCPJGOXMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)13-11(4)16(15-14-13)12-7-5-6-10(3)8-12/h5-9H,1-4H3.
What are the key properties of 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole?
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole has a molecular weight of 215.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole is sourced from PubChem (CID 170030388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).