tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate

C16H25N5O2 — CID 103756562

IUPACtert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
SMILESCCc1nnc(NCCNC(=O)OC(C)(C)C)c(C#N)c1CC
InChIInChI=1S/C16H25N5O2/c1-6-11-12(10-17)14(21-20-13(11)7-2)18-8-9-19-15(22)23-16(3,4)5/h6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyOTPZTAGLPHMIMR-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.41
Rot. Bonds6

About tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate (PubChem CID 103756562) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
PubChem CID103756562
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Nametert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
SMILESCCc1nnc(NCCNC(=O)OC(C)(C)C)c(C#N)c1CC
InChIInChI=1S/C16H25N5O2/c1-6-11-12(10-17)14(21-20-13(11)7-2)18-8-9-19-15(22)23-16(3,4)5/h6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyOTPZTAGLPHMIMR-UHFFFAOYSA-N
XLogP2.41
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N,N-dimethylpropanamide
CID 80510567
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
tert-butyl N-[2-[(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)amino]ethyl]carbamate
CID 102795954
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 106130804
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
CID 103756843
3-[2-[4-(dimethylamino)phenyl]ethylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 133360889
3-[2-(cyclohexen-1-yl)ethylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504517

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate (CID 103756562) is tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate is CCc1nnc(NCCNC(=O)OC(C)(C)C)c(C#N)c1CC.
What is the InChIKey of tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate?
The InChIKey is OTPZTAGLPHMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-6-11-12(10-17)14(21-20-13(11)7-2)18-8-9-19-15(22)23-16(3,4)5/h6-9H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate has a molecular weight of 319.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103756562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).