N-tert-butyl-3,6-dichloropyridazin-4-amine

C8H11Cl2N3 — CID 6414699

IUPACN-tert-butyl-3,6-dichloropyridazin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-8(2,3)11-5-4-6(9)12-13-7(5)10/h4H,1-3H3,(H,11,12)
InChIKeyZPHMEWJNAGITOY-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.99
Rot. Bonds1

About N-tert-butyl-3,6-dichloropyridazin-4-amine

N-tert-butyl-3,6-dichloropyridazin-4-amine (PubChem CID 6414699) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is N-tert-butyl-3,6-dichloropyridazin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-3,6-dichloropyridazin-4-amine
PubChem CID6414699
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC NameN-tert-butyl-3,6-dichloropyridazin-4-amine
SMILESCC(C)(C)Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C8H11Cl2N3/c1-8(2,3)11-5-4-6(9)12-13-7(5)10/h4H,1-3H3,(H,11,12)
InChIKeyZPHMEWJNAGITOY-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dichloro-4-(piperidin-1-yl)pyridazine
CID 6401291
3,6-dichloro-N-methylpyridazin-4-amine
CID 12955489
3,6-dichloro-N-(2-methylprop-2-en-1-yl)pyridazin-4-amine
CID 21515359
3,6-Dichloro-4-(3-fluoropyrrolidin-1-yl)pyridazine
CID 165128894
3,6-dichloro-N,N-bis(prop-2-enyl)pyridazin-4-amine
CID 318721
3,6-Dichloro-4-ureidopyridazine
CID 129706369
3,6-dichloro-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81764254
3,6-dichloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine
CID 81765054
3,6-dichloro-N-(2,2-difluoroethyl)pyridazin-4-amine
CID 81765152
3,6-dichloro-N-(4,4,4-trifluorobutyl)pyridazin-4-amine
CID 81765162
3,6-dichloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine
CID 81765163
3,6-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81765577

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,6-dichloropyridazin-4-amine?
The IUPAC name of N-tert-butyl-3,6-dichloropyridazin-4-amine (CID 6414699) is N-tert-butyl-3,6-dichloropyridazin-4-amine.
What is the SMILES notation for N-tert-butyl-3,6-dichloropyridazin-4-amine?
The canonical SMILES for N-tert-butyl-3,6-dichloropyridazin-4-amine is CC(C)(C)Nc1cc(Cl)nnc1Cl.
What is the InChIKey of N-tert-butyl-3,6-dichloropyridazin-4-amine?
The InChIKey is ZPHMEWJNAGITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3/c1-8(2,3)11-5-4-6(9)12-13-7(5)10/h4H,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-3,6-dichloropyridazin-4-amine?
N-tert-butyl-3,6-dichloropyridazin-4-amine has a molecular weight of 220.10 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,6-dichloropyridazin-4-amine is sourced from PubChem (CID 6414699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).