3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine

C7H8N4 — CID 176530724

IUPAC3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine
SMILESCC1=NN2C=CC=CC2=NN1
InChIInChI=1S/C7H8N4/c1-6-8-9-7-4-2-3-5-11(7)10-6/h2-5H,1H3,(H,8,10)
InChIKeyMKECXGQDTIUPQE-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.62
Rot. Bonds

About 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine

3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine (PubChem CID 176530724) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine
PubChem CID176530724
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine
SMILESCC1=NN2C=CC=CC2=NN1
InChIInChI=1S/C7H8N4/c1-6-8-9-7-4-2-3-5-11(7)10-6/h2-5H,1H3,(H,8,10)
InChIKeyMKECXGQDTIUPQE-UHFFFAOYSA-N
XLogP0.62
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine?
The IUPAC name of 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine (CID 176530724) is 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine is CC1=NN2C=CC=CC2=NN1.
What is the InChIKey of 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine?
The InChIKey is MKECXGQDTIUPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-6-8-9-7-4-2-3-5-11(7)10-6/h2-5H,1H3,(H,8,10).
What are the key properties of 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine?
3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine has a molecular weight of 148.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrido[1,2-b][1,2,4,5]tetrazine is sourced from PubChem (CID 176530724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).