N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

C15H19N5OS — CID 91778065

IUPACN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCCn1ncnc1C(NC(=O)CSc1ccncc1)C1CC1
InChIInChI=1S/C15H19N5OS/c1-2-20-15(17-10-18-20)14(11-3-4-11)19-13(21)9-22-12-5-7-16-8-6-12/h5-8,10-11,14H,2-4,9H2,1H3,(H,19,21)
InChIKeyDWEAYQCALXSLIU-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.05
Rot. Bonds7

About N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 91778065) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID91778065
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCCn1ncnc1C(NC(=O)CSc1ccncc1)C1CC1
InChIInChI=1S/C15H19N5OS/c1-2-20-15(17-10-18-20)14(11-3-4-11)19-13(21)9-22-12-5-7-16-8-6-12/h5-8,10-11,14H,2-4,9H2,1H3,(H,19,21)
InChIKeyDWEAYQCALXSLIU-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 124753495
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 126442842
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 126428818
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831
3-(2-amino-1,3-thiazol-4-yl)-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 125158590
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50952833
1-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 97284585
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 126446578

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 91778065) is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is CCn1ncnc1C(NC(=O)CSc1ccncc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is DWEAYQCALXSLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-20-15(17-10-18-20)14(11-3-4-11)19-13(21)9-22-12-5-7-16-8-6-12/h5-8,10-11,14H,2-4,9H2,1H3,(H,19,21).
What are the key properties of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 317.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 91778065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).