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

C15H20N4OS — CID 86772386

IUPACN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
SMILESCCc1nnc2n1CC(NC(=O)CCc1ccsc1)CC2
InChIInChI=1S/C15H20N4OS/c1-2-13-17-18-14-5-4-12(9-19(13)14)16-15(20)6-3-11-7-8-21-10-11/h7-8,10,12H,2-6,9H2,1H3,(H,16,20)
InChIKeyPPOJNJYFVPTLJL-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.97
Rot. Bonds5

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

N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide (PubChem CID 86772386) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
PubChem CID86772386
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
SMILESCCc1nnc2n1CC(NC(=O)CCc1ccsc1)CC2
InChIInChI=1S/C15H20N4OS/c1-2-13-17-18-14-5-4-12(9-19(13)14)16-15(20)6-3-11-7-8-21-10-11/h7-8,10,12H,2-6,9H2,1H3,(H,16,20)
InChIKeyPPOJNJYFVPTLJL-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
CID 86772258
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 86772376
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 136714184
N-piperidin-4-yl-3-thiophen-3-ylpropanamide;hydrochloride
CID 119385872
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
CID 120601265
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 71897665
3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 95144835
2-ethoxy-N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyridine-3-carboxamide
CID 86772369
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-pyridin-2-ylpropanamide
CID 86772339
1-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-3-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 166272299

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)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide (CID 86772386) is N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide is CCc1nnc2n1CC(NC(=O)CCc1ccsc1)CC2.
What is the InChIKey of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is PPOJNJYFVPTLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-13-17-18-14-5-4-12(9-19(13)14)16-15(20)6-3-11-7-8-21-10-11/h7-8,10,12H,2-6,9H2,1H3,(H,16,20).
What are the key properties of N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide?
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 86772386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).