7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C11H16F3N3S — CID 146255812

IUPAC7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCSN1CCn2c(C(F)(F)F)nc(C(C)C)c2C1
InChIInChI=1S/C11H16F3N3S/c1-7(2)9-8-6-16(18-3)4-5-17(8)10(15-9)11(12,13)14/h7H,4-6H2,1-3H3
InChIKeySAOQZSJHJBDKNX-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.12
Rot. Bonds2

About 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 146255812) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID146255812
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCSN1CCn2c(C(F)(F)F)nc(C(C)C)c2C1
InChIInChI=1S/C11H16F3N3S/c1-7(2)9-8-6-16(18-3)4-5-17(8)10(15-9)11(12,13)14/h7H,4-6H2,1-3H3
InChIKeySAOQZSJHJBDKNX-UHFFFAOYSA-N
XLogP3.12
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1-(cyclopropylmethyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45272883
2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45272906
1-(cyclopropylmethyl)-5-(methylsulfonyl)-2-neopentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45273822
1-(cyclopropylmethyl)-2-neopentyl-5-pentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45267778
2-(Difluoromethyl)-3-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163675403
1-methyl-2-(propan-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 54592646
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine
CID 45096982
1-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617555
1,4-Dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617565
1-ethyl-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 121405546
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
CID 131884213
7-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 132222945

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 146255812) is 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CSN1CCn2c(C(F)(F)F)nc(C(C)C)c2C1.
What is the InChIKey of 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is SAOQZSJHJBDKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-7(2)9-8-6-16(18-3)4-5-17(8)10(15-9)11(12,13)14/h7H,4-6H2,1-3H3.
What are the key properties of 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 279.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 146255812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).