N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine

C13H16N4 — CID 113447071

IUPACN,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
SMILESCNc1nnc(Cc2cccnc2)c(C)c1C
InChIInChI=1S/C13H16N4/c1-9-10(2)13(14-3)17-16-12(9)7-11-5-4-6-15-8-11/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyBOZBCVUSBTUMEH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.12
Rot. Bonds3

About N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine

N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine (PubChem CID 113447071) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
PubChem CID113447071
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
SMILESCNc1nnc(Cc2cccnc2)c(C)c1C
InChIInChI=1S/C13H16N4/c1-9-10(2)13(14-3)17-16-12(9)7-11-5-4-6-15-8-11/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyBOZBCVUSBTUMEH-UHFFFAOYSA-N
XLogP2.12
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447077
2-ethyl-N,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737212
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
CID 134451931
N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 53298155
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
CID 104737123
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
3-ethylpyridine
CID 10823
N-iodo-1-pyridin-3-ylmethanamine
CID 89297492

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine (CID 113447071) is N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine is CNc1nnc(Cc2cccnc2)c(C)c1C.
What is the InChIKey of N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
The InChIKey is BOZBCVUSBTUMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-10(2)13(14-3)17-16-12(9)7-11-5-4-6-15-8-11/h4-6,8H,7H2,1-3H3,(H,14,17).
What are the key properties of N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine?
N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 113447071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).