4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine

C8H11N7O — CID 134141062

IUPAC4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine
SMILESCc1nnc2nnc(N3CCOCC3)nn12
InChIInChI=1S/C8H11N7O/c1-6-9-10-7-11-12-8(13-15(6)7)14-2-4-16-5-3-14/h2-5H2,1H3
InChIKeyWPUFTJRYPXJLGL-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.94
Rot. Bonds1

About 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine

4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine (PubChem CID 134141062) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine
PubChem CID134141062
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine
SMILESCc1nnc2nnc(N3CCOCC3)nn12
InChIInChI=1S/C8H11N7O/c1-6-9-10-7-11-12-8(13-15(6)7)14-2-4-16-5-3-14/h2-5H2,1H3
InChIKeyWPUFTJRYPXJLGL-UHFFFAOYSA-N
XLogP-0.94
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
The IUPAC name of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine (CID 134141062) is 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine.
What is the SMILES notation for 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
The canonical SMILES for 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine is Cc1nnc2nnc(N3CCOCC3)nn12.
What is the InChIKey of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
The InChIKey is WPUFTJRYPXJLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c1-6-9-10-7-11-12-8(13-15(6)7)14-2-4-16-5-3-14/h2-5H2,1H3.
What are the key properties of 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine?
4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine has a molecular weight of 221.22 g/mol, XLogP of -0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)morpholine is sourced from PubChem (CID 134141062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).