3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

C12H17F2N3 — CID 139530526

IUPAC3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESFC1(F)CCC(c2ncc3n2CCNC3)CC1
InChIInChI=1S/C12H17F2N3/c13-12(14)3-1-9(2-4-12)11-16-8-10-7-15-5-6-17(10)11/h8-9,15H,1-7H2
InChIKeyDHUPQLJIBBZWKZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.28
Rot. Bonds1

About 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 139530526) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID139530526
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESFC1(F)CCC(c2ncc3n2CCNC3)CC1
InChIInChI=1S/C12H17F2N3/c13-12(14)3-1-9(2-4-12)11-16-8-10-7-15-5-6-17(10)11/h8-9,15H,1-7H2
InChIKeyDHUPQLJIBBZWKZ-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5H,6H,7H,8H-imidazo(1,2-a)pyridin-2-ylmethanamine
CID 47003215
2-(Piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 57786821
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethyl}(methyl)amine
CID 82596909
3-cyclohexyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 21983608
3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine
CID 34176314
3-(difluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 165951141
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
1-[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine
CID 97467314
2-(Piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;dihydrochloride
CID 67369674
1-(5H,6H,7H,8H-imidazo(1,2-a)pyridin-3-yl)methanamine
CID 50989750
3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552282

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 139530526) is 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is FC1(F)CCC(c2ncc3n2CCNC3)CC1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is DHUPQLJIBBZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c13-12(14)3-1-9(2-4-12)11-16-8-10-7-15-5-6-17(10)11/h8-9,15H,1-7H2.
What are the key properties of 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 241.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 139530526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).