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

C17H19N5O — CID 94939085

IUPAC[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCCCOc1ccccc1-n1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C17H19N5O/c1-2-11-23-16-6-4-3-5-15(16)22-17(14(12-18)20-21-22)13-7-9-19-10-8-13/h3-10H,2,11-12,18H2,1H3
InChIKeySERGVHSCJHWILH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.58
Rot. Bonds6

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

[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine (PubChem CID 94939085) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
PubChem CID94939085
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
SMILESCCCOc1ccccc1-n1nnc(CN)c1-c1ccncc1
InChIInChI=1S/C17H19N5O/c1-2-11-23-16-6-4-3-5-15(16)22-17(14(12-18)20-21-22)13-7-9-19-10-8-13/h3-10H,2,11-12,18H2,1H3
InChIKeySERGVHSCJHWILH-UHFFFAOYSA-N
XLogP2.58
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82197503
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
[1-(3-phenoxypropyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94945102
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
CID 84760285
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82221614
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
1-(2-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 45030984

Frequently Asked Questions

What is the IUPAC name of [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine (CID 94939085) is [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine is CCCOc1ccccc1-n1nnc(CN)c1-c1ccncc1.
What is the InChIKey of [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
The InChIKey is SERGVHSCJHWILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-11-23-16-6-4-3-5-15(16)22-17(14(12-18)20-21-22)13-7-9-19-10-8-13/h3-10H,2,11-12,18H2,1H3.
What are the key properties of [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine?
[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine has a molecular weight of 309.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine is sourced from PubChem (CID 94939085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).