[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine

C16H17N5O — CID 82197503

IUPAC[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1nnc(CN)c1-c1cccnc1
InChIInChI=1S/C16H17N5O/c1-2-22-15-8-4-3-7-14(15)21-16(13(10-17)19-20-21)12-6-5-9-18-11-12/h3-9,11H,2,10,17H2,1H3
InChIKeyLJVDIFCGHKQPEJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.19
Rot. Bonds5

About [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine

[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine (PubChem CID 82197503) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
PubChem CID82197503
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1nnc(CN)c1-c1cccnc1
InChIInChI=1S/C16H17N5O/c1-2-22-15-8-4-3-7-14(15)21-16(13(10-17)19-20-21)12-6-5-9-18-11-12/h3-9,11H,2,10,17H2,1H3
InChIKeyLJVDIFCGHKQPEJ-UHFFFAOYSA-N
XLogP2.19
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine (CID 82197503) is [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine is CCOc1ccccc1-n1nnc(CN)c1-c1cccnc1.
What is the InChIKey of [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
The InChIKey is LJVDIFCGHKQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-22-15-8-4-3-7-14(15)21-16(13(10-17)19-20-21)12-6-5-9-18-11-12/h3-9,11H,2,10,17H2,1H3.
What are the key properties of [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine?
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine has a molecular weight of 295.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82197503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).