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

C19H18N6O2 — CID 72709057

IUPAC4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCc1ncc(C)n2nc(C3CC3c3cn4ccc5c(c4n3)OCCO5)nc12
InChIInChI=1S/C19H18N6O2/c1-10-8-20-11(2)18-22-17(23-25(10)18)13-7-12(13)14-9-24-4-3-15-16(19(24)21-14)27-6-5-26-15/h3-4,8-9,12-13H,5-7H2,1-2H3
InChIKeyUPVOMVBKBKUTLC-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.43
Rot. Bonds2

About 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-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]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (PubChem CID 72709057) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-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]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
PubChem CID72709057
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCc1ncc(C)n2nc(C3CC3c3cn4ccc5c(c4n3)OCCO5)nc12
InChIInChI=1S/C19H18N6O2/c1-10-8-20-11(2)18-22-17(23-25(10)18)13-7-12(13)14-9-24-4-3-15-16(19(24)21-14)27-6-5-26-15/h3-4,8-9,12-13H,5-7H2,1-2H3
InChIKeyUPVOMVBKBKUTLC-UHFFFAOYSA-N
XLogP2.43
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.43
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]-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]-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]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (CID 72709057) is 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-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]-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]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is Cc1ncc(C)n2nc(C3CC3c3cn4ccc5c(c4n3)OCCO5)nc12.
What is the InChIKey of 4-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The InChIKey is UPVOMVBKBKUTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-10-8-20-11(2)18-22-17(23-25(10)18)13-7-12(13)14-9-24-4-3-15-16(19(24)21-14)27-6-5-26-15/h3-4,8-9,12-13H,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]-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]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene has a molecular weight of 362.39 g/mol, XLogP of 2.43, 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]-10,13-dioxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is sourced from PubChem (CID 72709057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).