N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine

C9H11F2N3 — CID 126784896

IUPACN-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
SMILESFC1(F)CC(CNc2cnccn2)C1
InChIInChI=1S/C9H11F2N3/c10-9(11)3-7(4-9)5-14-8-6-12-1-2-13-8/h1-2,6-7H,3-5H2,(H,13,14)
InChIKeyDGQQINWIPJFBLQ-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.93
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine

N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine (PubChem CID 126784896) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
PubChem CID126784896
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
SMILESFC1(F)CC(CNc2cnccn2)C1
InChIInChI=1S/C9H11F2N3/c10-9(11)3-7(4-9)5-14-8-6-12-1-2-13-8/h1-2,6-7H,3-5H2,(H,13,14)
InChIKeyDGQQINWIPJFBLQ-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine
CID 66006093
3-[(pyrazin-2-ylamino)methyl]cyclopentan-1-ol
CID 103269740
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
ethane;N-ethylpyrazin-2-amine
CID 145154365
N-(3-cyclopropylpropyl)pyrazin-2-amine
CID 115637555
N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine
CID 65029619
6-bromo-N-[(3,3-difluorocyclobutyl)methyl]pyridin-2-amine
CID 130775007
tert-butyl (3S)-3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97171199
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
N-but-3-ynylpyrazin-2-amine
CID 14086948
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrazin-2-amine
CID 133311528
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436448

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine (CID 126784896) is N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine is FC1(F)CC(CNc2cnccn2)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
The InChIKey is DGQQINWIPJFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c10-9(11)3-7(4-9)5-14-8-6-12-1-2-13-8/h1-2,6-7H,3-5H2,(H,13,14).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine has a molecular weight of 199.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 126784896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).