[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine

C12H16N6S — CID 64580056

IUPAC[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCn3cnnc3C2)nc1C1CC1
InChIInChI=1S/C12H16N6S/c13-5-9-11(8-1-2-8)15-12(19-9)17-3-4-18-7-14-16-10(18)6-17/h7-8H,1-6,13H2
InChIKeyOSGYWHYHRBENJD-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.09
Rot. Bonds3

About [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 64580056) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID64580056
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(N2CCn3cnnc3C2)nc1C1CC1
InChIInChI=1S/C12H16N6S/c13-5-9-11(8-1-2-8)15-12(19-9)17-3-4-18-7-14-16-10(18)6-17/h7-8H,1-6,13H2
InChIKeyOSGYWHYHRBENJD-UHFFFAOYSA-N
XLogP1.09
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine (CID 64580056) is [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine is NCc1sc(N2CCn3cnnc3C2)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OSGYWHYHRBENJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c13-5-9-11(8-1-2-8)15-12(19-9)17-3-4-18-7-14-16-10(18)6-17/h7-8H,1-6,13H2.
What are the key properties of [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 276.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 64580056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).