N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride

C8H10ClF3N4O — CID 141185802

IUPACN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride
SMILESCl.O=CNc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H9F3N4O.ClH/c9-8(10,11)7-14-6(13-4-16)5-3-12-1-2-15(5)7;/h4,12H,1-3H2,(H,13,16);1H
InChIKeySKOWVSFJKHGWJD-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.00
Rot. Bonds2

About N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride

N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride (PubChem CID 141185802) has the molecular formula C8H10ClF3N4O and a molecular weight of 270.64 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride
PubChem CID141185802
Molecular FormulaC8H10ClF3N4O
Molecular Weight270.64 g/mol
Exact Mass270.05
IUPAC NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride
SMILESCl.O=CNc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C8H9F3N4O.ClH/c9-8(10,11)7-14-6(13-4-16)5-3-12-1-2-15(5)7;/h4,12H,1-3H2,(H,13,16);1H
InChIKeySKOWVSFJKHGWJD-UHFFFAOYSA-N
XLogP1.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-amine
CID 74892051
Acetamide,n-methyl-n-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76848928
Formamide,n-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76849414
Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro-1-methyl-3-(trifluoromethyl)-
CID 76849746
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-(formylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849815
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-[[(dimethylamino)carbonyl]amino]-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849817
Urea,n,n-dimethyl-n'-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76850573
CID 88553464
CID 88553464
7-Methyl-3-pentyl-6-sulfanylidene-8-(trifluoromethyl)purin-2-one
CID 88918579
3-Ethyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 129972703
3-Methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 129972797
7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-amine
CID 132226064

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride?
The IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride (CID 141185802) is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride.
What is the SMILES notation for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride?
The canonical SMILES for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride is Cl.O=CNc1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride?
The InChIKey is SKOWVSFJKHGWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O.ClH/c9-8(10,11)7-14-6(13-4-16)5-3-12-1-2-15(5)7;/h4,12H,1-3H2,(H,13,16);1H.
What are the key properties of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride?
N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride has a molecular weight of 270.64 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]formamide;hydrochloride is sourced from PubChem (CID 141185802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).