cyclopropyl 3-methylpyridazine-4-carboxylate

C9H10N2O2 — CID 131019505

IUPACcyclopropyl 3-methylpyridazine-4-carboxylate
SMILESCc1nnccc1C(=O)OC1CC1
InChIInChI=1S/C9H10N2O2/c1-6-8(4-5-10-11-6)9(12)13-7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeySSSZDMIKBMJZAT-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.10
Rot. Bonds2

About cyclopropyl 3-methylpyridazine-4-carboxylate

cyclopropyl 3-methylpyridazine-4-carboxylate (PubChem CID 131019505) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is cyclopropyl 3-methylpyridazine-4-carboxylate.

Molecular Properties

Compound Namecyclopropyl 3-methylpyridazine-4-carboxylate
PubChem CID131019505
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namecyclopropyl 3-methylpyridazine-4-carboxylate
SMILESCc1nnccc1C(=O)OC1CC1
InChIInChI=1S/C9H10N2O2/c1-6-8(4-5-10-11-6)9(12)13-7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeySSSZDMIKBMJZAT-UHFFFAOYSA-N
XLogP1.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 3-methylpyridazine-4-carboxylate?
The IUPAC name of cyclopropyl 3-methylpyridazine-4-carboxylate (CID 131019505) is cyclopropyl 3-methylpyridazine-4-carboxylate.
What is the SMILES notation for cyclopropyl 3-methylpyridazine-4-carboxylate?
The canonical SMILES for cyclopropyl 3-methylpyridazine-4-carboxylate is Cc1nnccc1C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 3-methylpyridazine-4-carboxylate?
The InChIKey is SSSZDMIKBMJZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-8(4-5-10-11-6)9(12)13-7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of cyclopropyl 3-methylpyridazine-4-carboxylate?
cyclopropyl 3-methylpyridazine-4-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 3-methylpyridazine-4-carboxylate is sourced from PubChem (CID 131019505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).