3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C16H20N6O — CID 112530116

IUPAC3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccn2c(C)nnc2c1
InChIInChI=1S/C16H20N6O/c1-10-14(11(2)21(4)20-10)5-7-17-16(23)13-6-8-22-12(3)18-19-15(22)9-13/h6,8-9H,5,7H2,1-4H3,(H,17,23)
InChIKeyZPLHATHAVSBDJH-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.36
Rot. Bonds4

About 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 112530116) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID112530116
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccn2c(C)nnc2c1
InChIInChI=1S/C16H20N6O/c1-10-14(11(2)21(4)20-10)5-7-17-16(23)13-6-8-22-12(3)18-19-15(22)9-13/h6,8-9H,5,7H2,1-4H3,(H,17,23)
InChIKeyZPLHATHAVSBDJH-UHFFFAOYSA-N
XLogP1.36
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530190
N-[2-(diethylamino)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577912
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
N-[(2-fluorophenyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 84577604
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 86930017
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86930090

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 112530116) is 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)c1ccn2c(C)nnc2c1.
What is the InChIKey of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is ZPLHATHAVSBDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-10-14(11(2)21(4)20-10)5-7-17-16(23)13-6-8-22-12(3)18-19-15(22)9-13/h6,8-9H,5,7H2,1-4H3,(H,17,23).
What are the key properties of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 112530116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).