2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate

C10H15N3O2 — CID 178059117

IUPAC2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate
SMILESCc1cnnc(NC(=O)OCC(C)C)c1
InChIInChI=1S/C10H15N3O2/c1-7(2)6-15-10(14)12-9-4-8(3)5-11-13-9/h4-5,7H,6H2,1-3H3,(H,12,13,14)
InChIKeyGMEJNFJGFOOZOA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.99
Rot. Bonds3

About 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate

2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate (PubChem CID 178059117) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate
PubChem CID178059117
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate
SMILESCc1cnnc(NC(=O)OCC(C)C)c1
InChIInChI=1S/C10H15N3O2/c1-7(2)6-15-10(14)12-9-4-8(3)5-11-13-9/h4-5,7H,6H2,1-3H3,(H,12,13,14)
InChIKeyGMEJNFJGFOOZOA-UHFFFAOYSA-N
XLogP1.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
ethane;2-methylpropyl N-(2-methyl-1,3-oxazol-4-yl)carbamate
CID 155739085
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
3-amino-4-[(5-methylpyridazin-3-yl)amino]butan-2-ol
CID 106550190
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
CID 106182176
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
2-methylpropyl N-(5-carbamothioyl-2-methylphenyl)carbamate
CID 55037007
2,3-dimethyl-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 63021039
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate (CID 178059117) is 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate is Cc1cnnc(NC(=O)OCC(C)C)c1.
What is the InChIKey of 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate?
The InChIKey is GMEJNFJGFOOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)6-15-10(14)12-9-4-8(3)5-11-13-9/h4-5,7H,6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate?
2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(5-methylpyridazin-3-yl)carbamate is sourced from PubChem (CID 178059117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).