2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

C12H13N5S — CID 104730975

IUPAC2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCc3cnc(C)s3)nccn2n1
InChIInChI=1S/C12H13N5S/c1-8-5-11-12(13-3-4-17(11)16-8)15-7-10-6-14-9(2)18-10/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyZULPXZXPOBSABM-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730975) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730975
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCc3cnc(C)s3)nccn2n1
InChIInChI=1S/C12H13N5S/c1-8-5-11-12(13-3-4-17(11)16-8)15-7-10-6-14-9(2)18-10/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeyZULPXZXPOBSABM-UHFFFAOYSA-N
XLogP2.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104730975) is 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCc3cnc(C)s3)nccn2n1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ZULPXZXPOBSABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-5-11-12(13-3-4-17(11)16-8)15-7-10-6-14-9(2)18-10/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).