N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine

C9H12ClN3 — CID 66006093

IUPACN-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine
SMILESClC1CC(CNc2cnccn2)C1
InChIInChI=1S/C9H12ClN3/c10-8-3-7(4-8)5-13-9-6-11-1-2-12-9/h1-2,6-8H,3-5H2,(H,12,13)
InChIKeyHUYQGEGYEVFGDN-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.91
Rot. Bonds3

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

N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine (PubChem CID 66006093) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine
PubChem CID66006093
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine
SMILESClC1CC(CNc2cnccn2)C1
InChIInChI=1S/C9H12ClN3/c10-8-3-7(4-8)5-13-9-6-11-1-2-12-9/h1-2,6-8H,3-5H2,(H,12,13)
InChIKeyHUYQGEGYEVFGDN-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(pyrazin-2-ylamino)methyl]cyclopentan-1-ol
CID 103269740
N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
CID 126784896
N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine
CID 65029619
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
tert-butyl (3S)-3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97171199
N-(3-cyclopropylpropyl)pyrazin-2-amine
CID 115637555
ethane;N-ethylpyrazin-2-amine
CID 145154365
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920247
N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 124572827
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126918562
4-N-pyrazin-2-ylcyclohexane-1,4-diamine
CID 56965635

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine (CID 66006093) is N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine is ClC1CC(CNc2cnccn2)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine?
The InChIKey is HUYQGEGYEVFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-3-7(4-8)5-13-9-6-11-1-2-12-9/h1-2,6-8H,3-5H2,(H,12,13).
What are the key properties of N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine?
N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 66006093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).