2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C11H17N5OS — CID 63916317

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESNC(=O)C(CSc1ncn[nH]1)(NC1CC1)C1CC1
InChIInChI=1S/C11H17N5OS/c12-9(17)11(7-1-2-7,15-8-3-4-8)5-18-10-13-6-14-16-10/h6-8,15H,1-5H2,(H2,12,17)(H,13,14,16)
InChIKeyWOBLVVGLKXIMLJ-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.28
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 63916317) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID63916317
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESNC(=O)C(CSc1ncn[nH]1)(NC1CC1)C1CC1
InChIInChI=1S/C11H17N5OS/c12-9(17)11(7-1-2-7,15-8-3-4-8)5-18-10-13-6-14-16-10/h6-8,15H,1-5H2,(H2,12,17)(H,13,14,16)
InChIKeyWOBLVVGLKXIMLJ-UHFFFAOYSA-N
XLogP0.28
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 63916317) is 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is NC(=O)C(CSc1ncn[nH]1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is WOBLVVGLKXIMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c12-9(17)11(7-1-2-7,15-8-3-4-8)5-18-10-13-6-14-16-10/h6-8,15H,1-5H2,(H2,12,17)(H,13,14,16).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 267.36 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 63916317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).