7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine

C16H19F3N4Se — CID 178125771

IUPAC7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine
SMILESCc1cc2c(NC34CCN(C)CC3C4)nccn2c1[Se]C(F)(F)F
InChIInChI=1S/C16H19F3N4Se/c1-10-7-12-13(21-15-3-5-22(2)9-11(15)8-15)20-4-6-23(12)14(10)24-16(17,18)19/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,20,21)
InChIKeyNPBZUTQVTZCNQY-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.00
Rot. Bonds3

About 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine

7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 178125771) has the molecular formula C16H19F3N4Se and a molecular weight of 403.31 g/mol. Its IUPAC name is 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound Name7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine
PubChem CID178125771
Molecular FormulaC16H19F3N4Se
Molecular Weight403.31 g/mol
Exact Mass404.07
IUPAC Name7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine
SMILESCc1cc2c(NC34CCN(C)CC3C4)nccn2c1[Se]C(F)(F)F
InChIInChI=1S/C16H19F3N4Se/c1-10-7-12-13(21-15-3-5-22(2)9-11(15)8-15)20-4-6-23(12)14(10)24-16(17,18)19/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,20,21)
InChIKeyNPBZUTQVTZCNQY-UHFFFAOYSA-N
XLogP2.00
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine with MolForge

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Related Compounds

Cyclopropylmethyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746382
7-methyl-N-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrimidin-5-amine
CID 51347106
7-methyl-N-phenyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 4535572
4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672556
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrrolo[3,2-c]pyridine
CID 137638752
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 44820214
N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 44820217
N-(4-fluorophenyl)-7-methyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3640170
1-Methyl-4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)-1,4-diazepane
CID 46230079
1-(6-(Pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)-1,4-diazepane
CID 46230081
4-N-butyl-5-(pyridin-3-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117886860
4-N-butyl-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887696

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine (CID 178125771) is 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine is Cc1cc2c(NC34CCN(C)CC3C4)nccn2c1[Se]C(F)(F)F.
What is the InChIKey of 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is NPBZUTQVTZCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4Se/c1-10-7-12-13(21-15-3-5-22(2)9-11(15)8-15)20-4-6-23(12)14(10)24-16(17,18)19/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,20,21).
What are the key properties of 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine?
7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 403.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)-6-(trifluoromethylselanyl)pyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 178125771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).