2-methylpropyl N-pyridazin-3-ylcarbamate

C9H13N3O2 — CID 68882705

IUPAC2-methylpropyl N-pyridazin-3-ylcarbamate
SMILESCC(C)COC(=O)Nc1cccnn1
InChIInChI=1S/C9H13N3O2/c1-7(2)6-14-9(13)11-8-4-3-5-10-12-8/h3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyFPTWAQNJMLHEHR-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.68
Rot. Bonds3

About 2-methylpropyl N-pyridazin-3-ylcarbamate

2-methylpropyl N-pyridazin-3-ylcarbamate (PubChem CID 68882705) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methylpropyl N-pyridazin-3-ylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-pyridazin-3-ylcarbamate
PubChem CID68882705
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methylpropyl N-pyridazin-3-ylcarbamate
SMILESCC(C)COC(=O)Nc1cccnn1
InChIInChI=1S/C9H13N3O2/c1-7(2)6-14-9(13)11-8-4-3-5-10-12-8/h3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyFPTWAQNJMLHEHR-UHFFFAOYSA-N
XLogP1.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl N-pyridazin-3-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-pyridazin-3-ylbutanamide
CID 126973262
2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate
CID 178059117
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
pyridazin-3-ylurea
CID 13080987
ethyl 2-amino-3-oxo-3-(pyridazin-3-ylamino)propanoate
CID 116786842
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
methyl 3-hydroxy-2-(pyridazin-3-ylamino)propanoate
CID 114998596
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
1-(3-methyl-1-phenylbutyl)-3-pyridazin-3-ylurea
CID 126782827
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-pyridazin-3-ylcarbamate?
The IUPAC name of 2-methylpropyl N-pyridazin-3-ylcarbamate (CID 68882705) is 2-methylpropyl N-pyridazin-3-ylcarbamate.
What is the SMILES notation for 2-methylpropyl N-pyridazin-3-ylcarbamate?
The canonical SMILES for 2-methylpropyl N-pyridazin-3-ylcarbamate is CC(C)COC(=O)Nc1cccnn1.
What is the InChIKey of 2-methylpropyl N-pyridazin-3-ylcarbamate?
The InChIKey is FPTWAQNJMLHEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(2)6-14-9(13)11-8-4-3-5-10-12-8/h3-5,7H,6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methylpropyl N-pyridazin-3-ylcarbamate?
2-methylpropyl N-pyridazin-3-ylcarbamate has a molecular weight of 195.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-pyridazin-3-ylcarbamate is sourced from PubChem (CID 68882705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).