3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine

C14H13N5O — CID 82370111

IUPAC3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3cccnc3)c2N)cc1
InChIInChI=1S/C14H13N5O/c1-20-12-6-4-11(5-7-12)19-14(15)13(17-18-19)10-3-2-8-16-9-10/h2-9H,15H2,1H3
InChIKeyGVSAJGUGXZEWBP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.92
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine

3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine (PubChem CID 82370111) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
PubChem CID82370111
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
SMILESCOc1ccc(-n2nnc(-c3cccnc3)c2N)cc1
InChIInChI=1S/C14H13N5O/c1-20-12-6-4-11(5-7-12)19-14(15)13(17-18-19)10-3-2-8-16-9-10/h2-9H,15H2,1H3
InChIKeyGVSAJGUGXZEWBP-UHFFFAOYSA-N
XLogP1.92
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol
CID 82370618
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
5-tert-butyl-3-(4-methoxyphenyl)triazol-4-amine
CID 166024360
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
3-(4-bromophenyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 16833201
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine?
The IUPAC name of 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine (CID 82370111) is 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine is COc1ccc(-n2nnc(-c3cccnc3)c2N)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine?
The InChIKey is GVSAJGUGXZEWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-12-6-4-11(5-7-12)19-14(15)13(17-18-19)10-3-2-8-16-9-10/h2-9H,15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine?
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine has a molecular weight of 267.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine is sourced from PubChem (CID 82370111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).