3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine

C14H15N5 — CID 176815572

IUPAC3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine
SMILESCCn1cc(-c2cncc(-n3ccc(C)c3)c2)nn1
InChIInChI=1S/C14H15N5/c1-3-19-10-14(16-17-19)12-6-13(8-15-7-12)18-5-4-11(2)9-18/h4-10H,3H2,1-2H3
InChIKeyOOBVIDJPFKVDKM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.46
Rot. Bonds3

About 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine

3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine (PubChem CID 176815572) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine.

Molecular Properties

Compound Name3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine
PubChem CID176815572
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine
SMILESCCn1cc(-c2cncc(-n3ccc(C)c3)c2)nn1
InChIInChI=1S/C14H15N5/c1-3-19-10-14(16-17-19)12-6-13(8-15-7-12)18-5-4-11(2)9-18/h4-10H,3H2,1-2H3
InChIKeyOOBVIDJPFKVDKM-UHFFFAOYSA-N
XLogP2.46
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine
CID 176815593
3-(1-ethyltriazol-4-yl)-5-piperidin-1-ylpyridine
CID 176815874
2-[4-(4-methylphenyl)triazol-1-yl]ethane-1,1-diol
CID 134693308
CID 174070100
CID 174070100
2-(1-ethyltriazol-4-yl)-6-methylpyridine
CID 118348736
5-[1-[(2-propylphenyl)methyl]triazol-4-yl]pyridine-3-carboxamide
CID 167896225
6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
4-(4-butoxyphenyl)-1-ethyltriazole
CID 13399718
2-[4-(5-bromo-3-pyridinyl)triazol-1-yl]ethanol
CID 165476430
1-ethyl-4-methyltriazole
CID 58612101
5-[1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]pyridine-3-carboxamide
CID 167961251

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine?
The IUPAC name of 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine (CID 176815572) is 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine.
What is the SMILES notation for 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine?
The canonical SMILES for 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine is CCn1cc(-c2cncc(-n3ccc(C)c3)c2)nn1.
What is the InChIKey of 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine?
The InChIKey is OOBVIDJPFKVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-3-19-10-14(16-17-19)12-6-13(8-15-7-12)18-5-4-11(2)9-18/h4-10H,3H2,1-2H3.
What are the key properties of 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine?
3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine has a molecular weight of 253.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyltriazol-4-yl)-5-(3-methylpyrrol-1-yl)pyridine is sourced from PubChem (CID 176815572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).