(2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C10H16N4OS — CID 9379464

IUPAC(2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCn1cnnc1S[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C10H16N4OS/c1-3-14-6-11-13-10(14)16-7(2)9(15)12-8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyYLQBUZIVSATZHJ-SSDOTTSWSA-N
MW240.33 g/mol
LogP1.06
Rot. Bonds5

About (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 9379464) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID9379464
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name(2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCn1cnnc1S[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C10H16N4OS/c1-3-14-6-11-13-10(14)16-7(2)9(15)12-8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyYLQBUZIVSATZHJ-SSDOTTSWSA-N
XLogP1.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 9379464) is (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CCn1cnnc1S[C@H](C)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is YLQBUZIVSATZHJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-14-6-11-13-10(14)16-7(2)9(15)12-8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,15)/t7-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 240.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 9379464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).