(2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide

C17H26N6O2S — CID 31041050

IUPAC(2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1CCC(N)=O
InChIInChI=1S/C17H26N6O2S/c1-10(2)17(4,9-18)20-15(25)11(3)26-16-22-21-14(12-5-6-12)23(16)8-7-13(19)24/h10-12H,5-8H2,1-4H3,(H2,19,24)(H,20,25)/t11-,17+/m1/s1
InChIKeyGDAOQYZYEBDGHL-DIFFPNOSSA-N
MW378.50 g/mol
LogP1.57
Rot. Bonds9

About (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide

(2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide (PubChem CID 31041050) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
PubChem CID31041050
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC Name(2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1CCC(N)=O
InChIInChI=1S/C17H26N6O2S/c1-10(2)17(4,9-18)20-15(25)11(3)26-16-22-21-14(12-5-6-12)23(16)8-7-13(19)24/h10-12H,5-8H2,1-4H3,(H2,19,24)(H,20,25)/t11-,17+/m1/s1
InChIKeyGDAOQYZYEBDGHL-DIFFPNOSSA-N
XLogP1.57
TPSA126.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

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(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51923778
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51923777
2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide
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(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
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(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40624588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide (CID 31041050) is (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide is CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1CCC(N)=O.
What is the InChIKey of (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
The InChIKey is GDAOQYZYEBDGHL-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-10(2)17(4,9-18)20-15(25)11(3)26-16-22-21-14(12-5-6-12)23(16)8-7-13(19)24/h10-12H,5-8H2,1-4H3,(H2,19,24)(H,20,25)/t11-,17+/m1/s1.
What are the key properties of (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide?
(2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide has a molecular weight of 378.50 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 31041050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).