N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide

C15H20N4O2S — CID 124614996

IUPACN-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide
SMILESCOCc1nc2n(n1)C[C@@H](NC(=O)c1csc(C)c1C)CC2
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)22-8-12(9)15(20)16-11-4-5-14-17-13(7-21-3)18-19(14)6-11/h8,11H,4-7H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyGTGOWUFIAFQCJU-NSHDSACASA-N
MW320.42 g/mol
LogP1.85
Rot. Bonds4

About N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide

N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 124614996) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide
PubChem CID124614996
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide
SMILESCOCc1nc2n(n1)C[C@@H](NC(=O)c1csc(C)c1C)CC2
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)22-8-12(9)15(20)16-11-4-5-14-17-13(7-21-3)18-19(14)6-11/h8,11H,4-7H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyGTGOWUFIAFQCJU-NSHDSACASA-N
XLogP1.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide with MolForge

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Related Compounds

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 127457813
tert-butyl N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
CID 102559562
N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 124615685
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(3-methylimidazol-4-yl)acetamide
CID 154794226
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167743148
1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea
CID 84597119
(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 97243984
(2R,4aR,8aS)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 124777116
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
(2R,4aS,8aS)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 124777115
ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
CID 166202903
2-(methoxymethyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126815145

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide (CID 124614996) is N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide is COCc1nc2n(n1)C[C@@H](NC(=O)c1csc(C)c1C)CC2.
What is the InChIKey of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is GTGOWUFIAFQCJU-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-10(2)22-8-12(9)15(20)16-11-4-5-14-17-13(7-21-3)18-19(14)6-11/h8,11H,4-7H2,1-3H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide?
N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 124614996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).