(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine

C9H15F2N3 — CID 156637535

IUPAC(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine
SMILESC/C(N)=C/C1=NC(C(F)F)CN(C)C1
InChIInChI=1S/C9H15F2N3/c1-6(12)3-7-4-14(2)5-8(13-7)9(10)11/h3,8-9H,4-5,12H2,1-2H3/b6-3-
InChIKeyJDFCTLVMBXNVSY-UTCJRWHESA-N
MW203.24 g/mol
LogP0.87
Rot. Bonds2

About (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine

(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine (PubChem CID 156637535) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine
PubChem CID156637535
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine
SMILESC/C(N)=C/C1=NC(C(F)F)CN(C)C1
InChIInChI=1S/C9H15F2N3/c1-6(12)3-7-4-14(2)5-8(13-7)9(10)11/h3,8-9H,4-5,12H2,1-2H3/b6-3-
InChIKeyJDFCTLVMBXNVSY-UTCJRWHESA-N
XLogP0.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methyl-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
CID 4149184
(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]-4-methylpent-1-en-2-amine
CID 156637603
(Z)-3,3-difluoro-1-(1,2,3,6-tetrahydropyrazin-5-yl)prop-1-en-2-amine
CID 172248196
[6-[(Z)-2-amino-3,3-difluoroprop-1-enyl]-3,5-dihydro-2H-pyrazin-4-yl] thiohypoiodite
CID 172248298
(Z)-5,5,5-trifluoro-4-propan-2-yliminopent-2-en-2-amine
CID 154519028
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 118423086
(Z)-1-(1,5,5-trimethyl-2,6-dihydropyrazin-3-yl)prop-1-en-2-amine
CID 156079509
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)pent-1-en-2-amine
CID 156637551
(Z)-1-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-2-amine
CID 170618230
1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 173602734
1-(4-propan-2-yl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 173607891
1-(1,5,5-Trimethyl-2,6-dihydropyrazin-3-yl)prop-1-en-2-amine
CID 173921126

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine (CID 156637535) is (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine is C/C(N)=C/C1=NC(C(F)F)CN(C)C1.
What is the InChIKey of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine?
The InChIKey is JDFCTLVMBXNVSY-UTCJRWHESA-N. The full InChI is InChI=1S/C9H15F2N3/c1-6(12)3-7-4-14(2)5-8(13-7)9(10)11/h3,8-9H,4-5,12H2,1-2H3/b6-3-.
What are the key properties of (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine?
(Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine has a molecular weight of 203.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(difluoromethyl)-4-methyl-3,5-dihydro-2H-pyrazin-6-yl]prop-1-en-2-amine is sourced from PubChem (CID 156637535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).