N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C13H15N5OS — CID 47134888

IUPACN,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2ncccn2n1
InChIInChI=1S/C13H15N5OS/c1-3-7-17(8-4-2)11(19)10-20-13-15-12-14-6-5-9-18(12)16-13/h3-6,9H,1-2,7-8,10H2
InChIKeyXYDOEWLQTJBUSB-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.42
Rot. Bonds7

About N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 47134888) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID47134888
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2ncccn2n1
InChIInChI=1S/C13H15N5OS/c1-3-7-17(8-4-2)11(19)10-20-13-15-12-14-6-5-9-18(12)16-13/h3-6,9H,1-2,7-8,10H2
InChIKeyXYDOEWLQTJBUSB-UHFFFAOYSA-N
XLogP1.42
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 47134888) is N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is C=CCN(CC=C)C(=O)CSc1nc2ncccn2n1.
What is the InChIKey of N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is XYDOEWLQTJBUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-3-7-17(8-4-2)11(19)10-20-13-15-12-14-6-5-9-18(12)16-13/h3-6,9H,1-2,7-8,10H2.
What are the key properties of N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 47134888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).