6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline

C17H13N5 — CID 45484965

IUPAC6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline
SMILESCc1c(-c2ccc3ncccc3c2)nnn1-c1cccnc1
InChIInChI=1S/C17H13N5/c1-12-17(20-21-22(12)15-5-3-8-18-11-15)14-6-7-16-13(10-14)4-2-9-19-16/h2-11H,1H3
InChIKeyYHBLPWFEBIEIGQ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.19
Rot. Bonds2

About 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline

6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline (PubChem CID 45484965) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline.

Molecular Properties

Compound Name6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline
PubChem CID45484965
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline
SMILESCc1c(-c2ccc3ncccc3c2)nnn1-c1cccnc1
InChIInChI=1S/C17H13N5/c1-12-17(20-21-22(12)15-5-3-8-18-11-15)14-6-7-16-13(10-14)4-2-9-19-16/h2-11H,1H3
InChIKeyYHBLPWFEBIEIGQ-UHFFFAOYSA-N
XLogP3.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline?
The IUPAC name of 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline (CID 45484965) is 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline.
What is the SMILES notation for 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline?
The canonical SMILES for 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline is Cc1c(-c2ccc3ncccc3c2)nnn1-c1cccnc1.
What is the InChIKey of 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline?
The InChIKey is YHBLPWFEBIEIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-12-17(20-21-22(12)15-5-3-8-18-11-15)14-6-7-16-13(10-14)4-2-9-19-16/h2-11H,1H3.
What are the key properties of 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline?
6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline has a molecular weight of 287.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1-pyridin-3-yltriazol-4-yl)quinoline is sourced from PubChem (CID 45484965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).