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

C16H21N3 — CID 116546128

IUPACN,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine
SMILESCCCc1cccc(-c2nnc(NC)c(C)c2C)c1
InChIInChI=1S/C16H21N3/c1-5-7-13-8-6-9-14(10-13)15-11(2)12(3)16(17-4)19-18-15/h6,8-10H,5,7H2,1-4H3,(H,17,19)
InChIKeyLXCWLRJTZVLIEQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.75
Rot. Bonds4

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

N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine (PubChem CID 116546128) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine
PubChem CID116546128
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine
SMILESCCCc1cccc(-c2nnc(NC)c(C)c2C)c1
InChIInChI=1S/C16H21N3/c1-5-7-13-8-6-9-14(10-13)15-11(2)12(3)16(17-4)19-18-15/h6,8-10H,5,7H2,1-4H3,(H,17,19)
InChIKeyLXCWLRJTZVLIEQ-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-(3-propylphenyl)pyridin-2-amine
CID 116546076
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
1-phenyl-3-propylbenzene
CID 4110465
6-(3-cyclobutylphenyl)-N-ethyl-4,5-dimethylpyridazin-3-amine
CID 114607011
2-(3-propylphenyl)pyridin-3-ol
CID 116546530
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243
4-propyl-6-(3-propylphenyl)benzene-1,3-diol
CID 71009376
5-methyl-3-(3-propylphenyl)pyridin-2-amine
CID 116545619
3-(3-propylphenyl)pyridine
CID 69055272

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine?
The IUPAC name of N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine (CID 116546128) is N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine.
What is the SMILES notation for N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine?
The canonical SMILES for N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine is CCCc1cccc(-c2nnc(NC)c(C)c2C)c1.
What is the InChIKey of N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine?
The InChIKey is LXCWLRJTZVLIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-7-13-8-6-9-14(10-13)15-11(2)12(3)16(17-4)19-18-15/h6,8-10H,5,7H2,1-4H3,(H,17,19).
What are the key properties of N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine?
N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine has a molecular weight of 255.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-6-(3-propylphenyl)pyridazin-3-amine is sourced from PubChem (CID 116546128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).