N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine

C9H12F3N3 — CID 163383013

IUPACN-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3/c1-6(2)13-3-7-4-15-8(5-14-7)9(10,11)12/h4-6,13H,3H2,1-2H3
InChIKeyJPZWLEDSCJQUDJ-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.99
Rot. Bonds3

About N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine

N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 163383013) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID163383013
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3/c1-6(2)13-3-7-4-15-8(5-14-7)9(10,11)12/h4-6,13H,3H2,1-2H3
InChIKeyJPZWLEDSCJQUDJ-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Pyrazin-2-yl)methanamine
CID 266781
Methyl[1-(pyrazin-2-yl)ethyl]amine
CID 60818558
1-[[6-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane;hydrobromide
CID 49859983
2-(Aminomethyl)-5-methylpyrazine
CID 2756496
Pyrazin-2-ylmethanamine hydrochloride
CID 21265794
N-methyl-1-(pyrazin-2-yl)methanamine
CID 16762521
2-((Piperazin-1-yl)methyl)pyrazine
CID 43439447
2-Methyl-5-(trifluoromethyl)pyrazine
CID 45790699
6-Methyl-2-pyrazinemethanamine
CID 66661136
(5-Methylpyrazin-2-yl)methanamine dihydrochloride
CID 121397354
1-[[6-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 464165
1-[[5-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)pyrazin-2-yl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 464166

Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine (CID 163383013) is N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is JPZWLEDSCJQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6(2)13-3-7-4-15-8(5-14-7)9(10,11)12/h4-6,13H,3H2,1-2H3.
What are the key properties of N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 219.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 163383013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).