(2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone

C18H14Cl2N4O — CID 172759087

IUPAC(2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2nnc3c2CCNC3)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-2-5-13(17(14)20)18(25)11-3-1-4-12(9-11)24-16-7-8-21-10-15(16)22-23-24/h1-6,9,21H,7-8,10H2
InChIKeyLKYQILGMPSOJMN-UHFFFAOYSA-N
MW373.24 g/mol
LogP3.45
Rot. Bonds3

About (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone

(2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone (PubChem CID 172759087) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone
PubChem CID172759087
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name(2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2nnc3c2CCNC3)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-2-5-13(17(14)20)18(25)11-3-1-4-12(9-11)24-16-7-8-21-10-15(16)22-23-24/h1-6,9,21H,7-8,10H2
InChIKeyLKYQILGMPSOJMN-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone (CID 172759087) is (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone is O=C(c1cccc(-n2nnc3c2CCNC3)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone?
The InChIKey is LKYQILGMPSOJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-6-2-5-13(17(14)20)18(25)11-3-1-4-12(9-11)24-16-7-8-21-10-15(16)22-23-24/h1-6,9,21H,7-8,10H2.
What are the key properties of (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone?
(2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone has a molecular weight of 373.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone is sourced from PubChem (CID 172759087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).