3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C19H16ClFN6 — CID 167376481

IUPAC3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc2[nH]ncc2c1-c1c(F)cc(-c2nnc3n2CCNC3)cc1Cl
InChIInChI=1S/C19H16ClFN6/c1-10-2-3-15-12(8-23-24-15)17(10)18-13(20)6-11(7-14(18)21)19-26-25-16-9-22-4-5-27(16)19/h2-3,6-8,22H,4-5,9H2,1H3,(H,23,24)
InChIKeyMQWLDEASNFVJOB-UHFFFAOYSA-N
MW382.83 g/mol
LogP3.69
Rot. Bonds2

About 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 167376481) has the molecular formula C19H16ClFN6 and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID167376481
Molecular FormulaC19H16ClFN6
Molecular Weight382.83 g/mol
Exact Mass382.11
IUPAC Name3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccc2[nH]ncc2c1-c1c(F)cc(-c2nnc3n2CCNC3)cc1Cl
InChIInChI=1S/C19H16ClFN6/c1-10-2-3-15-12(8-23-24-15)17(10)18-13(20)6-11(7-14(18)21)19-26-25-16-9-22-4-5-27(16)19/h2-3,6-8,22H,4-5,9H2,1H3,(H,23,24)
InChIKeyMQWLDEASNFVJOB-UHFFFAOYSA-N
XLogP3.69
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 167376481) is 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccc2[nH]ncc2c1-c1c(F)cc(-c2nnc3n2CCNC3)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is MQWLDEASNFVJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6/c1-10-2-3-15-12(8-23-24-15)17(10)18-13(20)6-11(7-14(18)21)19-26-25-16-9-22-4-5-27(16)19/h2-3,6-8,22H,4-5,9H2,1H3,(H,23,24).
What are the key properties of 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 382.83 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-fluoro-4-(5-methyl-1H-indazol-4-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 167376481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).