N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C14H18N4OS — CID 170409270

IUPACN-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCSC(C)(C)c1ccn2nc(NC(=O)C3CC3)nc2c1
InChIInChI=1S/C14H18N4OS/c1-14(2,20-3)10-6-7-18-11(8-10)15-13(17-18)16-12(19)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyNYUJDHRPQYWSBQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.68
Rot. Bonds4

About N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 170409270) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID170409270
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCSC(C)(C)c1ccn2nc(NC(=O)C3CC3)nc2c1
InChIInChI=1S/C14H18N4OS/c1-14(2,20-3)10-6-7-18-11(8-10)15-13(17-18)16-12(19)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyNYUJDHRPQYWSBQ-UHFFFAOYSA-N
XLogP2.68
TPSA59.29 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 170408736
5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide
CID 170012281
N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-4-carboxamide
CID 110471857
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[7-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 162671857
[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate
CID 90775379
N-(5-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 139387363
N-[8-(4-formylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 86656206
N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 146408614
N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 170010119
3-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]benzoic acid
CID 70929702
N-[8-[4-(propan-2-ylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 91393803

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 170409270) is N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CSC(C)(C)c1ccn2nc(NC(=O)C3CC3)nc2c1.
What is the InChIKey of N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is NYUJDHRPQYWSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2,20-3)10-6-7-18-11(8-10)15-13(17-18)16-12(19)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17,19).
What are the key properties of N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170409270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).