tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate

C15H24Cl2N4O2 — CID 123449999

IUPACtert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate
SMILESCCN(CCC(C)Nc1cc(Cl)nnc1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24Cl2N4O2/c1-6-21(14(22)23-15(3,4)5)8-7-10(2)18-11-9-12(16)19-20-13(11)17/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyHHYBHJHGDHGTHD-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.23
Rot. Bonds6

About tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate

tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate (PubChem CID 123449999) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate
PubChem CID123449999
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC Nametert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate
SMILESCCN(CCC(C)Nc1cc(Cl)nnc1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24Cl2N4O2/c1-6-21(14(22)23-15(3,4)5)8-7-10(2)18-11-9-12(16)19-20-13(11)17/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyHHYBHJHGDHGTHD-UHFFFAOYSA-N
XLogP4.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,6-Dichloro-pyridazin-4-yl)-(2-methyl-allyl)-carbamic acid tert-butyl ester
CID 86724012
tert-butyl (3R,4S)-4-[(6-chloropyridazin-4-yl)amino]-3-fluoropiperidine-1-carboxylate
CID 176196191
tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate
CID 44630700
4-(Boc-amino)-3,6-dichloropyridazine
CID 56923827
Tert-butyl 4-(4-amino-6-chloropyridazin-3-yl)piperazine-1-carboxylate
CID 59332449
Tert-butyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
CID 59542894
tert-butyl N-[1-(6-chloropyridazin-4-yl)piperidin-4-yl]carbamate
CID 71301870
N'-(3,6-dichloropyridazin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 81763905
N-(3,6-dichloropyridazin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 81764236
(R)-tert-butyl 1-(5,6-dichloropyridazin-4-yl)pyrrolidin-3-ylcarbamate
CID 86652500
(R)-tert-butyl 1-(6-chloropyridazin-4-yl)pyrrolidin-3-ylcarbamate
CID 86652501
(R)-tert-butyl 1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl(methyl)carbamate
CID 86652502

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate (CID 123449999) is tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate is CCN(CCC(C)Nc1cc(Cl)nnc1Cl)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate?
The InChIKey is HHYBHJHGDHGTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N4O2/c1-6-21(14(22)23-15(3,4)5)8-7-10(2)18-11-9-12(16)19-20-13(11)17/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate?
tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate has a molecular weight of 363.29 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate is sourced from PubChem (CID 123449999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).