7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C12H16N6O2S — CID 97471219

IUPAC7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(C1CC1)N1CCn2c(Cn3cncn3)cnc2C1
InChIInChI=1S/C12H16N6O2S/c19-21(20,11-1-2-11)17-3-4-18-10(5-14-12(18)7-17)6-16-9-13-8-15-16/h5,8-9,11H,1-4,6-7H2
InChIKeyULFRPFVXXYNXJG-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.17
Rot. Bonds4

About 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97471219) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97471219
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(C1CC1)N1CCn2c(Cn3cncn3)cnc2C1
InChIInChI=1S/C12H16N6O2S/c19-21(20,11-1-2-11)17-3-4-18-10(5-14-12(18)7-17)6-16-9-13-8-15-16/h5,8-9,11H,1-4,6-7H2
InChIKeyULFRPFVXXYNXJG-UHFFFAOYSA-N
XLogP-0.17
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97471219) is 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(C1CC1)N1CCn2c(Cn3cncn3)cnc2C1.
What is the InChIKey of 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is ULFRPFVXXYNXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c19-21(20,11-1-2-11)17-3-4-18-10(5-14-12(18)7-17)6-16-9-13-8-15-16/h5,8-9,11H,1-4,6-7H2.
What are the key properties of 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 308.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97471219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).