6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C14H13Cl2N3O — CID 106895378

IUPAC6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NCc1cccnn1)CCO2
InChIInChI=1S/C14H13Cl2N3O/c15-9-6-11-13(3-5-20-14(11)12(16)7-9)17-8-10-2-1-4-18-19-10/h1-2,4,6-7,13,17H,3,5,8H2
InChIKeyKFBYIMRHGGUXND-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.40
Rot. Bonds3

About 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 106895378) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID106895378
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NCc1cccnn1)CCO2
InChIInChI=1S/C14H13Cl2N3O/c15-9-6-11-13(3-5-20-14(11)12(16)7-9)17-8-10-2-1-4-18-19-10/h1-2,4,6-7,13,17H,3,5,8H2
InChIKeyKFBYIMRHGGUXND-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61016507
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 62846074
6-bromo-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106895049
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
6,8-dichloro-N-(1H-pyrazol-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54897442
6,8-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61014453
6,8-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 64548316
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
CID 103788042
N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
CID 130447977
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 106895378) is 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Clc1cc(Cl)c2c(c1)C(NCc1cccnn1)CCO2.
What is the InChIKey of 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KFBYIMRHGGUXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-9-6-11-13(3-5-20-14(11)12(16)7-9)17-8-10-2-1-4-18-19-10/h1-2,4,6-7,13,17H,3,5,8H2.
What are the key properties of 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 310.18 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 106895378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).