2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

C9H15N5OS — CID 63919066

IUPAC2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCc1nc(SCC(N)(C(N)=O)C2CC2)n[nH]1
InChIInChI=1S/C9H15N5OS/c1-5-12-8(14-13-5)16-4-9(11,7(10)15)6-2-3-6/h6H,2-4,11H2,1H3,(H2,10,15)(H,12,13,14)
InChIKeyWHYNFOZYLDLQOK-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.20
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 63919066) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID63919066
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCc1nc(SCC(N)(C(N)=O)C2CC2)n[nH]1
InChIInChI=1S/C9H15N5OS/c1-5-12-8(14-13-5)16-4-9(11,7(10)15)6-2-3-6/h6H,2-4,11H2,1H3,(H2,10,15)(H,12,13,14)
InChIKeyWHYNFOZYLDLQOK-UHFFFAOYSA-N
XLogP-0.20
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 63919066) is 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is Cc1nc(SCC(N)(C(N)=O)C2CC2)n[nH]1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is WHYNFOZYLDLQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-5-12-8(14-13-5)16-4-9(11,7(10)15)6-2-3-6/h6H,2-4,11H2,1H3,(H2,10,15)(H,12,13,14).
What are the key properties of 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 241.32 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 63919066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).