N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine

C9H13ClN4 — CID 130987402

IUPACN-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine
SMILESNC1(CNc2cnc(Cl)cn2)CCC1
InChIInChI=1S/C9H13ClN4/c10-7-4-13-8(5-12-7)14-6-9(11)2-1-3-9/h4-5H,1-3,6,11H2,(H,13,14)
InChIKeyZFYFMRURQWCFIM-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.42
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine

N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine (PubChem CID 130987402) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine
PubChem CID130987402
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC NameN-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine
SMILESNC1(CNc2cnc(Cl)cn2)CCC1
InChIInChI=1S/C9H13ClN4/c10-7-4-13-8(5-12-7)14-6-9(11)2-1-3-9/h4-5H,1-3,6,11H2,(H,13,14)
InChIKeyZFYFMRURQWCFIM-UHFFFAOYSA-N
XLogP1.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-chloropyrazin-2-yl)propane-1,3-diamine
CID 131197654
N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 103353983
N-[(1-aminocyclobutyl)methyl]-5-nitropyrimidin-2-amine
CID 103353913
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 103353838
N-(5-chloropyrazin-2-yl)formamide
CID 166456553
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 131214051
5-chloro-N-methylpyrazin-2-amine;hydrochloride
CID 172741687
5-chloro-N-[(4-methylthiadiazol-5-yl)methyl]pyrazin-2-amine
CID 131096865
4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869173
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
1-[3-[(5-chloropyrazin-2-yl)amino]propyl]pyrrolidine-2,5-dione
CID 136571690

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine (CID 130987402) is N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine is NC1(CNc2cnc(Cl)cn2)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine?
The InChIKey is ZFYFMRURQWCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-7-4-13-8(5-12-7)14-6-9(11)2-1-3-9/h4-5H,1-3,6,11H2,(H,13,14).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine?
N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine has a molecular weight of 212.68 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-5-chloropyrazin-2-amine is sourced from PubChem (CID 130987402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).