N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C9H11ClF3N3 — CID 103054321

IUPACN-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(Cl)cn1
InChIInChI=1S/C9H11ClF3N3/c1-16(3-2-9(11,12)13)6-7-4-15-8(10)5-14-7/h4-5H,2-3,6H2,1H3
InChIKeyUKUNPAKOAMAYFX-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.51
Rot. Bonds4

About N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 103054321) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID103054321
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC NameN-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(Cl)cn1
InChIInChI=1S/C9H11ClF3N3/c1-16(3-2-9(11,12)13)6-7-4-15-8(10)5-14-7/h4-5H,2-3,6H2,1H3
InChIKeyUKUNPAKOAMAYFX-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-6-methylpyrazine
CID 7170095
2-Chloro-5-methylpyrazine
CID 12600386
2-Chloro-5-(trifluoromethyl)pyrazine
CID 18987645
2-Chloro-6-(trifluoromethyl)pyrazine
CID 20361694
(5-Chloropyrazin-2-yl)methanamine
CID 21714700
2-Chloro-5-(difluoromethyl)pyrazine
CID 84651993
2-Chloro-6-(1,1-difluoroethyl)pyrazine
CID 137526084
3,5-Dichloro-2-(trifluoromethyl)pyrazine
CID 46847209
2-Chloro-5-(1,1-difluoro-ethyl)-pyrazine
CID 122402914
2-(Chloromethyl)-5-(trifluoromethyl)pyrazine
CID 21698256
2-Chloro-6-(2,2,2-trifluoroethyl)pyrazine
CID 53676086
2-Chloro-6-(difluoromethyl)pyrazine
CID 84651994

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 103054321) is N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1cnc(Cl)cn1.
What is the InChIKey of N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is UKUNPAKOAMAYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-16(3-2-9(11,12)13)6-7-4-15-8(10)5-14-7/h4-5H,2-3,6H2,1H3.
What are the key properties of N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 253.65 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 103054321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).