2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine

C10H15F3N4 — CID 83919698

IUPAC2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
SMILESCn1nc2c(c1N)CCN(CC(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4/c1-16-9(14)7-2-4-17(6-10(11,12)13)5-3-8(7)15-16/h2-6,14H2,1H3
InChIKeySNGCWUULDJXBNU-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.97
Rot. Bonds1

About 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine

2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine (PubChem CID 83919698) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine.

Molecular Properties

Compound Name2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
PubChem CID83919698
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
SMILESCn1nc2c(c1N)CCN(CC(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4/c1-16-9(14)7-2-4-17(6-10(11,12)13)5-3-8(7)15-16/h2-6,14H2,1H3
InChIKeySNGCWUULDJXBNU-UHFFFAOYSA-N
XLogP0.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine with MolForge

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Related Compounds

2-methyl-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907276
2-methyl-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 83919622
2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83679998
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
CID 83863716
(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine
CID 112711134
2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105453536
2-methyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 118974407
2-propyl-5-(2,2,2-trifluoroethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 166883881
2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-amine
CID 83679999
3-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 142138599
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine?
The IUPAC name of 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine (CID 83919698) is 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine.
What is the SMILES notation for 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine?
The canonical SMILES for 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine is Cn1nc2c(c1N)CCN(CC(F)(F)F)CC2.
What is the InChIKey of 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine?
The InChIKey is SNGCWUULDJXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-16-9(14)7-2-4-17(6-10(11,12)13)5-3-8(7)15-16/h2-6,14H2,1H3.
What are the key properties of 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine?
2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine has a molecular weight of 248.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine is sourced from PubChem (CID 83919698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).