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

C14H18N4O — CID 82196033

IUPAC[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
SMILESCCOc1ccc(-n2nnc(CN)c2C2CC2)cc1
InChIInChI=1S/C14H18N4O/c1-2-19-12-7-5-11(6-8-12)18-14(10-3-4-10)13(9-15)16-17-18/h5-8,10H,2-4,9,15H2,1H3
InChIKeyVUFCJBBPPCCGHC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds5

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

[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine (PubChem CID 82196033) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
PubChem CID82196033
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
SMILESCCOc1ccc(-n2nnc(CN)c2C2CC2)cc1
InChIInChI=1S/C14H18N4O/c1-2-19-12-7-5-11(6-8-12)18-14(10-3-4-10)13(9-15)16-17-18/h5-8,10H,2-4,9,15H2,1H3
InChIKeyVUFCJBBPPCCGHC-UHFFFAOYSA-N
XLogP2.00
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-cyclopropyl-1-(4-ethylphenyl)triazol-4-yl]methanamine
CID 82198454
[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine
CID 107958644
[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82196030
[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045
1-(4-butoxyphenyl)-5-cyclopropyltriazole-4-carbonitrile
CID 82200464
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
4-[4-(aminomethyl)-5-cyclohexyltriazol-1-yl]benzoic acid
CID 82200012
[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 82196201
1-(4-butoxyphenyl)-5-cyclobutyltriazole-4-carbaldehyde
CID 82200474
[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
CID 82199923
[1-(4-chloro-3-nitrophenyl)-5-cyclopropyltriazol-4-yl]methanamine
CID 82197772
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82420041

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine (CID 82196033) is [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine is CCOc1ccc(-n2nnc(CN)c2C2CC2)cc1.
What is the InChIKey of [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine?
The InChIKey is VUFCJBBPPCCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-19-12-7-5-11(6-8-12)18-14(10-3-4-10)13(9-15)16-17-18/h5-8,10H,2-4,9,15H2,1H3.
What are the key properties of [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine?
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82196033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).