N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine

C10H15N5S — CID 177182474

IUPACN-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine
SMILESCCCN(C)c1nnc(SC)n2ccnc12
InChIInChI=1S/C10H15N5S/c1-4-6-14(2)9-8-11-5-7-15(8)10(16-3)13-12-9/h5,7H,4,6H2,1-3H3
InChIKeyWYQSXGCIYPDXSN-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine

N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine (PubChem CID 177182474) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine.

Molecular Properties

Compound NameN-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine
PubChem CID177182474
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine
SMILESCCCN(C)c1nnc(SC)n2ccnc12
InChIInChI=1S/C10H15N5S/c1-4-6-14(2)9-8-11-5-7-15(8)10(16-3)13-12-9/h5,7H,4,6H2,1-3H3
InChIKeyWYQSXGCIYPDXSN-UHFFFAOYSA-N
XLogP1.69
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine?
The IUPAC name of N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine (CID 177182474) is N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine.
What is the SMILES notation for N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine?
The canonical SMILES for N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine is CCCN(C)c1nnc(SC)n2ccnc12.
What is the InChIKey of N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine?
The InChIKey is WYQSXGCIYPDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-4-6-14(2)9-8-11-5-7-15(8)10(16-3)13-12-9/h5,7H,4,6H2,1-3H3.
What are the key properties of N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine?
N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine has a molecular weight of 237.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfanyl-N-propylimidazo[1,2-d][1,2,4]triazin-8-amine is sourced from PubChem (CID 177182474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).