5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine

C19H20N6O — CID 11653165

IUPAC5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(-c3ccc(OCCCCn4cncn4)cc3)nn12
InChIInChI=1S/C19H20N6O/c1-15-5-4-6-18-22-19(23-25(15)18)16-7-9-17(10-8-16)26-12-3-2-11-24-14-20-13-21-24/h4-10,13-14H,2-3,11-12H2,1H3
InChIKeyGOFULCMLORHWLY-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.16
Rot. Bonds7

About 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine

5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 11653165) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID11653165
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc2nc(-c3ccc(OCCCCn4cncn4)cc3)nn12
InChIInChI=1S/C19H20N6O/c1-15-5-4-6-18-22-19(23-25(15)18)16-7-9-17(10-8-16)26-12-3-2-11-24-14-20-13-21-24/h4-10,13-14H,2-3,11-12H2,1H3
InChIKeyGOFULCMLORHWLY-UHFFFAOYSA-N
XLogP3.16
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(1,2,4-triazol-1-yl)propoxy]benzoic acid
CID 63073725
1-[3-(4-phenylmethoxyphenoxy)propyl]-1,2,4-triazole
CID 2199997
4-[3-(1,2,4-triazol-1-yl)propoxy]benzonitrile
CID 43289176
1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199683
benzotriazol-1-yl-[4-[4-[8-(1,2,4-triazol-1-yl)octoxy]phenyl]phenyl]methanone
CID 56988742
ethyl 4-[2-(1,2,4-triazol-1-yl)ethoxy]benzoate
CID 13457584
4-methyl-7-[4-(1,2,4-triazol-1-yl)butoxy]chromen-2-one
CID 53320472
4-methyl-7-[5-(1,2,4-triazol-1-yl)pentoxy]chromen-2-one
CID 53320470
1-[(4-methylphenoxy)methyl]-1,2,4-triazole
CID 23517766
5-methyl-2-naphthalen-2-yl-4-[[4-[4-(1,2,4-triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 22009747
[3-[3-(1,2,4-triazol-1-yl)propoxy]phenyl]methanamine;hydrochloride
CID 66769156
1-[4-(4-phenylmethoxyphenyl)butyl]-1,2,4-triazole
CID 22009834

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 11653165) is 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc2nc(-c3ccc(OCCCCn4cncn4)cc3)nn12.
What is the InChIKey of 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GOFULCMLORHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-15-5-4-6-18-22-19(23-25(15)18)16-7-9-17(10-8-16)26-12-3-2-11-24-14-20-13-21-24/h4-10,13-14H,2-3,11-12H2,1H3.
What are the key properties of 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 348.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 11653165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).