8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

C11H10ClN5S — CID 80836363

IUPAC8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H10ClN5S/c12-8-2-1-7(18-8)5-15-10-11-14-3-4-17(11)6-9(13)16-10/h1-4,6H,5,13H2,(H,15,16)
InChIKeyOOAQUZPMHOGQKV-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.64
Rot. Bonds3

About 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine

8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80836363) has the molecular formula C11H10ClN5S and a molecular weight of 279.76 g/mol. Its IUPAC name is 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80836363
Molecular FormulaC11H10ClN5S
Molecular Weight279.76 g/mol
Exact Mass279.03
IUPAC Name8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H10ClN5S/c12-8-2-1-7(18-8)5-15-10-11-14-3-4-17(11)6-9(13)16-10/h1-4,6H,5,13H2,(H,15,16)
InChIKeyOOAQUZPMHOGQKV-UHFFFAOYSA-N
XLogP2.64
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 114187084
8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80854414
8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829250
8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 114702239
8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80823918
8-N-(3-phenylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80790130
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N-cyclopropylacetamide
CID 80792658
3-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylpropanamide
CID 80814263
8-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113476564
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
2-N-[(5-chlorothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132227
8-N-(4-bromo-2,3-dichlorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 107794870

Frequently Asked Questions

What is the IUPAC name of 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80836363) is 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is Nc1cn2ccnc2c(NCc2ccc(Cl)s2)n1.
What is the InChIKey of 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is OOAQUZPMHOGQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5S/c12-8-2-1-7(18-8)5-15-10-11-14-3-4-17(11)6-9(13)16-10/h1-4,6H,5,13H2,(H,15,16).
What are the key properties of 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 279.76 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80836363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).