1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea

C10H14F3N5O — CID 76850573

IUPAC1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea
SMILESCN(C)C(=O)Nc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C10H14F3N5O/c1-17(2)9(19)16-7-6-5-14-3-4-18(6)8(15-7)10(11,12)13/h14H,3-5H2,1-2H3,(H,16,19)
InChIKeyWTYRQPFTZIKFIZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.10
Rot. Bonds1

About 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea

1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea (PubChem CID 76850573) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea
PubChem CID76850573
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea
SMILESCN(C)C(=O)Nc1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C10H14F3N5O/c1-17(2)9(19)16-7-6-5-14-3-4-18(6)8(15-7)10(11,12)13/h14H,3-5H2,1-2H3,(H,16,19)
InChIKeyWTYRQPFTZIKFIZ-UHFFFAOYSA-N
XLogP1.10
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1,4-dimethyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
CID 10890435
1,4-Dimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one
CID 44343403
7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione;N-ethylethanamine
CID 20562611
7-ethyl-1,3-dimethyl-8-(trifluoromethyl)purine-2,6-dione;N-ethylethanamine;hydrochloride
CID 20562675
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-(acetylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849813
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
Methanesulfonamide,n-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76849923

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea (CID 76850573) is 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea is CN(C)C(=O)Nc1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea?
The InChIKey is WTYRQPFTZIKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-17(2)9(19)16-7-6-5-14-3-4-18(6)8(15-7)10(11,12)13/h14H,3-5H2,1-2H3,(H,16,19).
What are the key properties of 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea?
1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea has a molecular weight of 277.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]urea is sourced from PubChem (CID 76850573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).