4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene

C19H17FN6O2 — CID 72709138

IUPAC4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCc1ncc(C)n2nc(C3CC3c3nc4c5c(ccn4c3F)OCCO5)nc12
InChIInChI=1S/C19H17FN6O2/c1-9-8-21-10(2)18-23-17(24-26(9)18)12-7-11(12)14-16(20)25-4-3-13-15(19(25)22-14)28-6-5-27-13/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyPWOSSMZOZPEFAF-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.57
Rot. Bonds2

About 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene

4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (PubChem CID 72709138) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene.

Molecular Properties

Compound Name4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
PubChem CID72709138
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCc1ncc(C)n2nc(C3CC3c3nc4c5c(ccn4c3F)OCCO5)nc12
InChIInChI=1S/C19H17FN6O2/c1-9-8-21-10(2)18-23-17(24-26(9)18)12-7-11(12)14-16(20)25-4-3-13-15(19(25)22-14)28-6-5-27-13/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyPWOSSMZOZPEFAF-UHFFFAOYSA-N
XLogP2.57
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The IUPAC name of 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (CID 72709138) is 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene.
What is the SMILES notation for 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The canonical SMILES for 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is Cc1ncc(C)n2nc(C3CC3c3nc4c5c(ccn4c3F)OCCO5)nc12.
What is the InChIKey of 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The InChIKey is PWOSSMZOZPEFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-9-8-21-10(2)18-23-17(24-26(9)18)12-7-11(12)14-16(20)25-4-3-13-15(19(25)22-14)28-6-5-27-13/h3-4,8,11-12H,5-7H2,1-2H3.
What are the key properties of 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene has a molecular weight of 380.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-5-fluoro-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is sourced from PubChem (CID 72709138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).