(3R)-3-methyl-1,2,3,6-tetrahydropyridazine

C5H10N2 — CID 154498575

IUPAC(3R)-3-methyl-1,2,3,6-tetrahydropyridazine
SMILESC[C@@H]1C=CCNN1
InChIInChI=1S/C5H10N2/c1-5-3-2-4-6-7-5/h2-3,5-7H,4H2,1H3/t5-/m1/s1
InChIKeyPGGZAHZKIZGZJB-RXMQYKEDSA-N
MW98.15 g/mol
LogP0.04
Rot. Bonds

About (3R)-3-methyl-1,2,3,6-tetrahydropyridazine

(3R)-3-methyl-1,2,3,6-tetrahydropyridazine (PubChem CID 154498575) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is (3R)-3-methyl-1,2,3,6-tetrahydropyridazine.

Molecular Properties

Compound Name(3R)-3-methyl-1,2,3,6-tetrahydropyridazine
PubChem CID154498575
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name(3R)-3-methyl-1,2,3,6-tetrahydropyridazine
SMILESC[C@@H]1C=CCNN1
InChIInChI=1S/C5H10N2/c1-5-3-2-4-6-7-5/h2-3,5-7H,4H2,1H3/t5-/m1/s1
InChIKeyPGGZAHZKIZGZJB-RXMQYKEDSA-N
XLogP0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1,2,3,6-tetrahydropyridazine?
The IUPAC name of (3R)-3-methyl-1,2,3,6-tetrahydropyridazine (CID 154498575) is (3R)-3-methyl-1,2,3,6-tetrahydropyridazine.
What is the SMILES notation for (3R)-3-methyl-1,2,3,6-tetrahydropyridazine?
The canonical SMILES for (3R)-3-methyl-1,2,3,6-tetrahydropyridazine is C[C@@H]1C=CCNN1.
What is the InChIKey of (3R)-3-methyl-1,2,3,6-tetrahydropyridazine?
The InChIKey is PGGZAHZKIZGZJB-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10N2/c1-5-3-2-4-6-7-5/h2-3,5-7H,4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methyl-1,2,3,6-tetrahydropyridazine?
(3R)-3-methyl-1,2,3,6-tetrahydropyridazine has a molecular weight of 98.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1,2,3,6-tetrahydropyridazine is sourced from PubChem (CID 154498575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).