2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

C10H17N5OS — CID 2601758

IUPAC2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(C2CC2)n1N
InChIInChI=1S/C10H17N5OS/c1-2-5-12-8(16)6-17-10-14-13-9(15(10)11)7-3-4-7/h7H,2-6,11H2,1H3,(H,12,16)
InChIKeyYZUJULAXIKGNAJ-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.49
Rot. Bonds6

About 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide

2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (PubChem CID 2601758) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
PubChem CID2601758
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(C2CC2)n1N
InChIInChI=1S/C10H17N5OS/c1-2-5-12-8(16)6-17-10-14-13-9(15(10)11)7-3-4-7/h7H,2-6,11H2,1H3,(H,12,16)
InChIKeyYZUJULAXIKGNAJ-UHFFFAOYSA-N
XLogP0.49
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide (CID 2601758) is 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(C2CC2)n1N.
What is the InChIKey of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
The InChIKey is YZUJULAXIKGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-2-5-12-8(16)6-17-10-14-13-9(15(10)11)7-3-4-7/h7H,2-6,11H2,1H3,(H,12,16).
What are the key properties of 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide?
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide has a molecular weight of 255.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 2601758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).