3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine

C13H15Cl2N5 — CID 106898227

IUPAC3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCc2cccnn2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5/c1-2-5-16-12-10(14)7-11(15)13(19-12)17-8-9-4-3-6-18-20-9/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,19)
InChIKeyPKYBUQPHGUBMFV-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.61
Rot. Bonds6

About 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine

3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine (PubChem CID 106898227) has the molecular formula C13H15Cl2N5 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
PubChem CID106898227
Molecular FormulaC13H15Cl2N5
Molecular Weight312.20 g/mol
Exact Mass311.07
IUPAC Name3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCc2cccnn2)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N5/c1-2-5-16-12-10(14)7-11(15)13(19-12)17-8-9-4-3-6-18-20-9/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,19)
InChIKeyPKYBUQPHGUBMFV-UHFFFAOYSA-N
XLogP3.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102758253
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102758506
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
3,5-dichloro-6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378906
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine (CID 106898227) is 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine is CCCNc1nc(NCc2cccnn2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine?
The InChIKey is PKYBUQPHGUBMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5/c1-2-5-16-12-10(14)7-11(15)13(19-12)17-8-9-4-3-6-18-20-9/h3-4,6-7H,2,5,8H2,1H3,(H2,16,17,19).
What are the key properties of 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine has a molecular weight of 312.20 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 106898227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).