3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C14H16N6S — CID 22110828

IUPAC3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1ccc2nc(CSc3nnc(C4CC4)n3N)cn2c1
InChIInChI=1S/C14H16N6S/c1-9-2-5-12-16-11(7-19(12)6-9)8-21-14-18-17-13(20(14)15)10-3-4-10/h2,5-7,10H,3-4,8,15H2,1H3
InChIKeyHLKSUQAATCBWLL-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.12
Rot. Bonds4

About 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 22110828) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID22110828
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESCc1ccc2nc(CSc3nnc(C4CC4)n3N)cn2c1
InChIInChI=1S/C14H16N6S/c1-9-2-5-12-16-11(7-19(12)6-9)8-21-14-18-17-13(20(14)15)10-3-4-10/h2,5-7,10H,3-4,8,15H2,1H3
InChIKeyHLKSUQAATCBWLL-UHFFFAOYSA-N
XLogP2.12
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 22110828) is 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Cc1ccc2nc(CSc3nnc(C4CC4)n3N)cn2c1.
What is the InChIKey of 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is HLKSUQAATCBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-9-2-5-12-16-11(7-19(12)6-9)8-21-14-18-17-13(20(14)15)10-3-4-10/h2,5-7,10H,3-4,8,15H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 300.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 22110828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).