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

C14H18N4OS — CID 86772258

IUPACN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
SMILESCc1nnc2n1CC(NC(=O)CCc1ccsc1)CC2
InChIInChI=1S/C14H18N4OS/c1-10-16-17-13-4-3-12(8-18(10)13)15-14(19)5-2-11-6-7-20-9-11/h6-7,9,12H,2-5,8H2,1H3,(H,15,19)
InChIKeyOKGQIFGGVCPKSI-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.71
Rot. Bonds4

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

N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide (PubChem CID 86772258) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
PubChem CID86772258
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
SMILESCc1nnc2n1CC(NC(=O)CCc1ccsc1)CC2
InChIInChI=1S/C14H18N4OS/c1-10-16-17-13-4-3-12(8-18(10)13)15-14(19)5-2-11-6-7-20-9-11/h6-7,9,12H,2-5,8H2,1H3,(H,15,19)
InChIKeyOKGQIFGGVCPKSI-UHFFFAOYSA-N
XLogP1.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide (CID 86772258) is N-(3-methyl-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-methyl-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-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide is Cc1nnc2n1CC(NC(=O)CCc1ccsc1)CC2.
What is the InChIKey of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is OKGQIFGGVCPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-16-17-13-4-3-12(8-18(10)13)15-14(19)5-2-11-6-7-20-9-11/h6-7,9,12H,2-5,8H2,1H3,(H,15,19).
What are the key properties of N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide?
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 290.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 86772258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).