N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide

C13H18N6O — CID 86772397

IUPACN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide
SMILESCCc1nnc2n1CC(NC(=O)Cn1cccn1)CC2
InChIInChI=1S/C13H18N6O/c1-2-11-16-17-12-5-4-10(8-19(11)12)15-13(20)9-18-7-3-6-14-18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,20)
InChIKeyPINWMYRDASWUGO-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.17
Rot. Bonds4

About N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide

N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide (PubChem CID 86772397) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide
PubChem CID86772397
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide
SMILESCCc1nnc2n1CC(NC(=O)Cn1cccn1)CC2
InChIInChI=1S/C13H18N6O/c1-2-11-16-17-12-5-4-10(8-19(11)12)15-13(20)9-18-7-3-6-14-18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,20)
InChIKeyPINWMYRDASWUGO-UHFFFAOYSA-N
XLogP0.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide (CID 86772397) is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide is CCc1nnc2n1CC(NC(=O)Cn1cccn1)CC2.
What is the InChIKey of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is PINWMYRDASWUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-11-16-17-12-5-4-10(8-19(11)12)15-13(20)9-18-7-3-6-14-18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,15,20).
What are the key properties of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide?
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 274.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 86772397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).