tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate

C12H16ClN3O2 — CID 169468523

IUPACtert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)14-8-4-5-9-6-7-10(13)16-15-9/h4-7H,8H2,1-3H3,(H,14,17)
InChIKeyDVAKNBBGPORLAO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate (PubChem CID 169468523) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
PubChem CID169468523
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Nametert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(Cl)nn1
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)14-8-4-5-9-6-7-10(13)16-15-9/h4-7H,8H2,1-3H3,(H,14,17)
InChIKeyDVAKNBBGPORLAO-UHFFFAOYSA-N
XLogP2.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate 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

N-[4-(6-chloropyridazin-3-yl)but-3-enyl]acetamide
CID 170489699
tert-butyl N-[4-(6-methoxypyridazin-3-yl)but-3-enyl]carbamate
CID 170490124
tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467597
tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169466951
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(3-bromo-4-chlorophenyl)prop-2-enyl]carbamate
CID 169468558
tert-butyl N-[3-(10-chloroanthracen-9-yl)prop-2-enyl]carbamate
CID 169468652
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467081
tert-butyl N-[3-(2-chloro-5-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate (CID 169468523) is tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1ccc(Cl)nn1.
What is the InChIKey of tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
The InChIKey is DVAKNBBGPORLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)14-8-4-5-9-6-7-10(13)16-15-9/h4-7H,8H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate has a molecular weight of 269.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).