[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine

C14H20N4O — CID 82196030

IUPAC[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
SMILESCCOc1ccc(-n2nnc(CN)c2C(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-4-19-12-7-5-11(6-8-12)18-14(10(2)3)13(9-15)16-17-18/h5-8,10H,4,9,15H2,1-3H3
InChIKeyHJFLIHUJAVUUOV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds5

About [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine

[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine (PubChem CID 82196030) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
PubChem CID82196030
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
SMILESCCOc1ccc(-n2nnc(CN)c2C(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-4-19-12-7-5-11(6-8-12)18-14(10(2)3)13(9-15)16-17-18/h5-8,10H,4,9,15H2,1-3H3
InChIKeyHJFLIHUJAVUUOV-UHFFFAOYSA-N
XLogP2.25
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
CID 82199923
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
5-[4-(aminomethyl)-5-propan-2-yltriazol-1-yl]-2-chlorobenzoic acid
CID 82197856
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041
1-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27655572
[1-(4-butoxyphenyl)-5-pentan-3-yltriazol-4-yl]methanol
CID 94939967
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492
4-bromo-1-(4-ethoxyphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 107958266
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine (CID 82196030) is [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine is CCOc1ccc(-n2nnc(CN)c2C(C)C)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The InChIKey is HJFLIHUJAVUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-19-12-7-5-11(6-8-12)18-14(10(2)3)13(9-15)16-17-18/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82196030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).