1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine

C13H18N4 — CID 79500843

IUPAC1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine
SMILESCc1ccc(C)c(-n2nnc(N)c2C(C)C)c1
InChIInChI=1S/C13H18N4/c1-8(2)12-13(14)15-16-17(12)11-7-9(3)5-6-10(11)4/h5-8H,14H2,1-4H3
InChIKeyWFPLOCHHESSPBA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.59
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine

1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine (PubChem CID 79500843) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine
PubChem CID79500843
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine
SMILESCc1ccc(C)c(-n2nnc(N)c2C(C)C)c1
InChIInChI=1S/C13H18N4/c1-8(2)12-13(14)15-16-17(12)11-7-9(3)5-6-10(11)4/h5-8H,14H2,1-4H3
InChIKeyWFPLOCHHESSPBA-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500698
1-(2-chloro-4-iodophenyl)-5-propan-2-yltriazol-4-amine
CID 107608277
2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 82300177
1-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yltriazol-4-amine
CID 102807714
1-[2-fluoro-5-(trifluoromethyl)phenyl]-5-propan-2-yltriazol-4-amine
CID 79507777
1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671272
3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]-4-methylaniline
CID 61351662
1-(2-methoxy-5-methylphenyl)-5-propan-2-yltriazole-4-carbonitrile
CID 82200655
1-(5-chloro-2-methylphenyl)-5-propan-2-yltriazole-4-carbonitrile
CID 82196296
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
CID 79502966
2-(2,5-dimethylphenyl)pyrazol-3-amine
CID 43316773
5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 66441226

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine (CID 79500843) is 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine is Cc1ccc(C)c(-n2nnc(N)c2C(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is WFPLOCHHESSPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8(2)12-13(14)15-16-17(12)11-7-9(3)5-6-10(11)4/h5-8H,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine?
1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine has a molecular weight of 230.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79500843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).