(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone

C8H8N6O — CID 131057776

IUPAC(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2nnn(C)n2)nn1
InChIInChI=1S/C8H8N6O/c1-5-3-4-6(10-9-5)7(15)8-11-13-14(2)12-8/h3-4H,1-2H3
InChIKeyDVBNOLVXFCITGV-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.46
Rot. Bonds2

About (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone

(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 131057776) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID131057776
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2nnn(C)n2)nn1
InChIInChI=1S/C8H8N6O/c1-5-3-4-6(10-9-5)7(15)8-11-13-14(2)12-8/h3-4H,1-2H3
InChIKeyDVBNOLVXFCITGV-UHFFFAOYSA-N
XLogP-0.46
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone (CID 131057776) is (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone is Cc1ccc(C(=O)c2nnn(C)n2)nn1.
What is the InChIKey of (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is DVBNOLVXFCITGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c1-5-3-4-6(10-9-5)7(15)8-11-13-14(2)12-8/h3-4H,1-2H3.
What are the key properties of (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone?
(6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 204.19 g/mol, XLogP of -0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyridazin-3-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 131057776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).