4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one

C11H10Cl2N4O — CID 168509716

IUPAC4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc2c(Cl)cccn2n1
InChIInChI=1S/C11H10Cl2N4O/c12-5-7-4-9(18)16(6-7)11-14-10-8(13)2-1-3-17(10)15-11/h1-3,7H,4-6H2
InChIKeyRBTRDBVMWDYZPR-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.97
Rot. Bonds2

About 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one

4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one (PubChem CID 168509716) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one
PubChem CID168509716
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc2c(Cl)cccn2n1
InChIInChI=1S/C11H10Cl2N4O/c12-5-7-4-9(18)16(6-7)11-14-10-8(13)2-1-3-17(10)15-11/h1-3,7H,4-6H2
InChIKeyRBTRDBVMWDYZPR-UHFFFAOYSA-N
XLogP1.97
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one
CID 168509714
4-(chloromethyl)-1-(5-chloroquinazolin-2-yl)pyrrolidin-2-one
CID 168509673
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
1-(2-amino-6-chloro-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508785
1-(2-chloro-6-methoxyphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507585
1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509672
4-(chloromethyl)-1-(2-chloro-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168507873
4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168508594
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509484
4-(chloromethyl)-1-(3-hydroxy-2-pyridinyl)pyrrolidin-2-one
CID 168509192
4-(chloromethyl)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 168509572

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one (CID 168509716) is 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1nc2c(Cl)cccn2n1.
What is the InChIKey of 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one?
The InChIKey is RBTRDBVMWDYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-5-7-4-9(18)16(6-7)11-14-10-8(13)2-1-3-17(10)15-11/h1-3,7H,4-6H2.
What are the key properties of 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one?
4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one has a molecular weight of 285.13 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168509716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).