2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

C13H18N4S — CID 113487788

IUPAC2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3CCSCC3)nccn2n1
InChIInChI=1S/C13H18N4S/c1-10-8-12-13(14-4-5-17(12)16-10)15-9-11-2-6-18-7-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyIHPGVRPYNBDMGB-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.59
Rot. Bonds3

About 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113487788) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113487788
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC3CCSCC3)nccn2n1
InChIInChI=1S/C13H18N4S/c1-10-8-12-13(14-4-5-17(12)16-10)15-9-11-2-6-18-7-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyIHPGVRPYNBDMGB-UHFFFAOYSA-N
XLogP2.59
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 113487788) is 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCC3CCSCC3)nccn2n1.
What is the InChIKey of 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IHPGVRPYNBDMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-8-12-13(14-4-5-17(12)16-10)15-9-11-2-6-18-7-3-11/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,15).
What are the key properties of 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113487788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).