[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine

C13H18N4 — CID 105488482

IUPAC[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine
SMILESCc1ccccc1-n1nnc(C(C)C)c1CN
InChIInChI=1S/C13H18N4/c1-9(2)13-12(8-14)17(16-15-13)11-7-5-4-6-10(11)3/h4-7,9H,8,14H2,1-3H3
InChIKeySSTBGHNIZCNIMP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.16
Rot. Bonds3

About [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine

[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine (PubChem CID 105488482) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine
PubChem CID105488482
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine
SMILESCc1ccccc1-n1nnc(C(C)C)c1CN
InChIInChI=1S/C13H18N4/c1-9(2)13-12(8-14)17(16-15-13)11-7-5-4-6-10(11)3/h4-7,9H,8,14H2,1-3H3
InChIKeySSTBGHNIZCNIMP-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
5-ethyl-1-(2-methylphenyl)triazole-4-carbaldehyde
CID 82198163
(8-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82506589
1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
CID 117167503
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine
CID 105422314
[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
CID 105475486
[3-(2-chlorophenyl)-5-ethyltriazol-4-yl]methanamine
CID 105498553
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
CID 27261922

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The IUPAC name of [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine (CID 105488482) is [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The canonical SMILES for [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine is Cc1ccccc1-n1nnc(C(C)C)c1CN.
What is the InChIKey of [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The InChIKey is SSTBGHNIZCNIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)13-12(8-14)17(16-15-13)11-7-5-4-6-10(11)3/h4-7,9H,8,14H2,1-3H3.
What are the key properties of [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine is sourced from PubChem (CID 105488482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).