3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one

C10H14ClN3O — CID 102871693

IUPAC3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCCl)C1CCC1
InChIInChI=1S/C10H14ClN3O/c11-4-7-14(8-2-1-3-8)9-10(15)13-6-5-12-9/h5-6,8H,1-4,7H2,(H,13,15)
InChIKeyKPOZQLBQYAGWCP-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.37
Rot. Bonds4

About 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one

3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one (PubChem CID 102871693) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one
PubChem CID102871693
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCCl)C1CCC1
InChIInChI=1S/C10H14ClN3O/c11-4-7-14(8-2-1-3-8)9-10(15)13-6-5-12-9/h5-6,8H,1-4,7H2,(H,13,15)
InChIKeyKPOZQLBQYAGWCP-UHFFFAOYSA-N
XLogP1.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.37
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-[2-chloroethyl(cyclopropyl)amino]-1H-pyrazin-2-one
CID 114571335
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
CID 114571207
3-[3-chloropropyl(cyclobutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 102871485
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
CID 107490132
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723
3-[2-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
5-amino-4-[cyclobutyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136827311
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472
N-(2-chloroethyl)-N-cyclohexyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733822
3,5-dichloro-N-(2-chloroethyl)-N-cyclopropylpyridin-2-amine
CID 63390310
5-amino-4-[cyclohexyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136979613

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one (CID 102871693) is 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one is O=c1[nH]ccnc1N(CCCl)C1CCC1.
What is the InChIKey of 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one?
The InChIKey is KPOZQLBQYAGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-4-7-14(8-2-1-3-8)9-10(15)13-6-5-12-9/h5-6,8H,1-4,7H2,(H,13,15).
What are the key properties of 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one?
3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one has a molecular weight of 227.69 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloroethyl(cyclobutyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 102871693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).