N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine

C12H16F3N3 — CID 162620658

IUPACN-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine
SMILESCN(CC1CCCC1)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3/c1-18(8-9-4-2-3-5-9)11-7-16-10(6-17-11)12(13,14)15/h6-7,9H,2-5,8H2,1H3
InChIKeyHKVPVWGBSCWVEZ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.12
Rot. Bonds3

About N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine

N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 162620658) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID162620658
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine
SMILESCN(CC1CCCC1)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3/c1-18(8-9-4-2-3-5-9)11-7-16-10(6-17-11)12(13,14)15/h6-7,9H,2-5,8H2,1H3
InChIKeyHKVPVWGBSCWVEZ-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine (CID 162620658) is N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine is CN(CC1CCCC1)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is HKVPVWGBSCWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-18(8-9-4-2-3-5-9)11-7-16-10(6-17-11)12(13,14)15/h6-7,9H,2-5,8H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine?
N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 162620658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).