[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine

C14H18N4 — CID 82198454

IUPAC[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2C2CC2)cc1
InChIInChI=1S/C14H18N4/c1-2-10-3-7-12(8-4-10)18-14(11-5-6-11)13(9-15)16-17-18/h3-4,7-8,11H,2,5-6,9,15H2,1H3
InChIKeyFQJLDYFGOGHODJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.17
Rot. Bonds4

About [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine

[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine (PubChem CID 82198454) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine
PubChem CID82198454
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine
SMILESCCc1ccc(-n2nnc(CN)c2C2CC2)cc1
InChIInChI=1S/C14H18N4/c1-2-10-3-7-12(8-4-10)18-14(11-5-6-11)13(9-15)16-17-18/h3-4,7-8,11H,2,5-6,9,15H2,1H3
InChIKeyFQJLDYFGOGHODJ-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
4-[4-(aminomethyl)-5-cyclohexyltriazol-1-yl]benzoic acid
CID 82200012
[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
CID 82199564
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
[1-(4-ethylphenyl)-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 94938494
[1-(4-ethylphenyl)-5-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198461
[1-(4-chloro-3-nitrophenyl)-5-cyclopropyltriazol-4-yl]methanamine
CID 82197772
[1-(4-ethylphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82198469
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol
CID 94939958
[5-cyclopropyl-1-(3-nitrophenyl)triazol-4-yl]methanamine
CID 82200099
[1-(1,3-benzodioxol-5-yl)-5-cyclohexyltriazol-4-yl]methanamine
CID 82196954

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine (CID 82198454) is [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine is CCc1ccc(-n2nnc(CN)c2C2CC2)cc1.
What is the InChIKey of [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine?
The InChIKey is FQJLDYFGOGHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-10-3-7-12(8-4-10)18-14(11-5-6-11)13(9-15)16-17-18/h3-4,7-8,11H,2,5-6,9,15H2,1H3.
What are the key properties of [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine?
[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82198454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).