2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine

C13H11N5O — CID 46183505

IUPAC2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine
SMILESCOc1ccc(-c2cn(-c3cccnc3)nn2)cn1
InChIInChI=1S/C13H11N5O/c1-19-13-5-4-10(7-15-13)12-9-18(17-16-12)11-3-2-6-14-8-11/h2-9H,1H3
InChIKeyUEPKEKTXRDVYPD-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.73
Rot. Bonds3

About 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine

2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine (PubChem CID 46183505) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine
PubChem CID46183505
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine
SMILESCOc1ccc(-c2cn(-c3cccnc3)nn2)cn1
InChIInChI=1S/C13H11N5O/c1-19-13-5-4-10(7-15-13)12-9-18(17-16-12)11-3-2-6-14-8-11/h2-9H,1H3
InChIKeyUEPKEKTXRDVYPD-UHFFFAOYSA-N
XLogP1.73
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine?
The IUPAC name of 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine (CID 46183505) is 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine.
What is the SMILES notation for 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine?
The canonical SMILES for 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine is COc1ccc(-c2cn(-c3cccnc3)nn2)cn1.
What is the InChIKey of 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine?
The InChIKey is UEPKEKTXRDVYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-19-13-5-4-10(7-15-13)12-9-18(17-16-12)11-3-2-6-14-8-11/h2-9H,1H3.
What are the key properties of 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine?
2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine has a molecular weight of 253.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine is sourced from PubChem (CID 46183505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).