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

C10H14N6S — CID 120903443

IUPAC5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc2n(n1)CCN(Cc1cnc(N)s1)C2
InChIInChI=1S/C10H14N6S/c1-7-13-9-6-15(2-3-16(9)14-7)5-8-4-12-10(11)17-8/h4H,2-3,5-6H2,1H3,(H2,11,12)
InChIKeyKAOSATAQXKTADU-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.64
Rot. Bonds2

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

5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120903443) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120903443
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc2n(n1)CCN(Cc1cnc(N)s1)C2
InChIInChI=1S/C10H14N6S/c1-7-13-9-6-15(2-3-16(9)14-7)5-8-4-12-10(11)17-8/h4H,2-3,5-6H2,1H3,(H2,11,12)
InChIKeyKAOSATAQXKTADU-UHFFFAOYSA-N
XLogP0.64
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine (CID 120903443) is 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine is Cc1nc2n(n1)CCN(Cc1cnc(N)s1)C2.
What is the InChIKey of 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KAOSATAQXKTADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-7-13-9-6-15(2-3-16(9)14-7)5-8-4-12-10(11)17-8/h4H,2-3,5-6H2,1H3,(H2,11,12).
What are the key properties of 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine?
5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 250.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).