2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide

C10H15N5OS — CID 4809875

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C10H15N5OS/c1-3-5-15(6-4-2)8(16)7-17-10-12-9(11)13-14-10/h3-4H,1-2,5-7H2,(H3,11,12,13,14)
InChIKeyWJFJBHYNAGPGFO-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.68
Rot. Bonds7

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 4809875) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID4809875
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C10H15N5OS/c1-3-5-15(6-4-2)8(16)7-17-10-12-9(11)13-14-10/h3-4H,1-2,5-7H2,(H3,11,12,13,14)
InChIKeyWJFJBHYNAGPGFO-UHFFFAOYSA-N
XLogP0.68
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide (CID 4809875) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1n[nH]c(N)n1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is WJFJBHYNAGPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-5-15(6-4-2)8(16)7-17-10-12-9(11)13-14-10/h3-4H,1-2,5-7H2,(H3,11,12,13,14).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 253.33 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 4809875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).