1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine

C8H9F2N3 — CID 84769586

IUPAC1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine
SMILESNC1(c2cnc(C(F)F)cn2)CC1
InChIInChI=1S/C8H9F2N3/c9-7(10)5-3-13-6(4-12-5)8(11)1-2-8/h3-4,7H,1-2,11H2
InChIKeyNGSQXUCXVIPPCN-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.36
Rot. Bonds2

About 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine

1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine (PubChem CID 84769586) has the molecular formula C8H9F2N3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine
PubChem CID84769586
Molecular FormulaC8H9F2N3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine
SMILESNC1(c2cnc(C(F)F)cn2)CC1
InChIInChI=1S/C8H9F2N3/c9-7(10)5-3-13-6(4-12-5)8(11)1-2-8/h3-4,7H,1-2,11H2
InChIKeyNGSQXUCXVIPPCN-UHFFFAOYSA-N
XLogP1.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine (CID 84769586) is 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine is NC1(c2cnc(C(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine?
The InChIKey is NGSQXUCXVIPPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3/c9-7(10)5-3-13-6(4-12-5)8(11)1-2-8/h3-4,7H,1-2,11H2.
What are the key properties of 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine?
1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine has a molecular weight of 185.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)pyrazin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 84769586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).