N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H23N5OS — CID 7665911

IUPACN-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESN#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCCC1
InChIInChI=1S/C17H23N5OS/c18-11-17(8-2-1-3-9-17)19-14(23)10-24-16-21-20-15(12-4-5-12)22(16)13-6-7-13/h12-13H,1-10H2,(H,19,23)
InChIKeyRHDVSTGFNPYBCX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.93
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7665911) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7665911
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESN#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCCC1
InChIInChI=1S/C17H23N5OS/c18-11-17(8-2-1-3-9-17)19-14(23)10-24-16-21-20-15(12-4-5-12)22(16)13-6-7-13/h12-13H,1-10H2,(H,19,23)
InChIKeyRHDVSTGFNPYBCX-UHFFFAOYSA-N
XLogP2.93
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7665911) is N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is N#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RHDVSTGFNPYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c18-11-17(8-2-1-3-9-17)19-14(23)10-24-16-21-20-15(12-4-5-12)22(16)13-6-7-13/h12-13H,1-10H2,(H,19,23).
What are the key properties of N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7665911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).