8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine

C13H17N7S — CID 80888691

IUPAC8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine
SMILESCCCNc1cn2ccnc2c(Sc2nnc(C)n2C)n1
InChIInChI=1S/C13H17N7S/c1-4-5-14-10-8-20-7-6-15-11(20)12(16-10)21-13-18-17-9(2)19(13)3/h6-8,14H,4-5H2,1-3H3
InChIKeyKMKGCNDWVBTGCN-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.14
Rot. Bonds5

About 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine

8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine (PubChem CID 80888691) has the molecular formula C13H17N7S and a molecular weight of 303.40 g/mol. Its IUPAC name is 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine
PubChem CID80888691
Molecular FormulaC13H17N7S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine
SMILESCCCNc1cn2ccnc2c(Sc2nnc(C)n2C)n1
InChIInChI=1S/C13H17N7S/c1-4-5-14-10-8-20-7-6-15-11(20)12(16-10)21-13-18-17-9(2)19(13)3/h6-8,14H,4-5H2,1-3H3
InChIKeyKMKGCNDWVBTGCN-UHFFFAOYSA-N
XLogP2.14
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine with MolForge

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Related Compounds

8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80883484
8-tert-butylsulfanyl-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80887812
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
CID 113368229
8-(oxan-4-ylsulfanyl)-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80889678
N-ethyl-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886756
8-(2,5-dimethylphenyl)sulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80872898
8-(2-ethoxyethoxy)-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80859285
6-N,8-N,8-N-tripropylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80764672
2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
CID 80882609
N-ethyl-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]imidazo[1,2-a]pyrazin-6-amine
CID 106928525
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373

Frequently Asked Questions

What is the IUPAC name of 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine (CID 80888691) is 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine is CCCNc1cn2ccnc2c(Sc2nnc(C)n2C)n1.
What is the InChIKey of 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine?
The InChIKey is KMKGCNDWVBTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-4-5-14-10-8-20-7-6-15-11(20)12(16-10)21-13-18-17-9(2)19(13)3/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine?
8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine has a molecular weight of 303.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80888691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).