N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine

C14H15BrClN3 — CID 63272064

IUPACN-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)Cc2ccc(Br)cc2)c1C
InChIInChI=1S/C14H15BrClN3/c1-9-10(2)14(18-17-13(9)16)19(3)8-11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3
InChIKeyBXFSWEAFIZHEGG-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.15
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine

N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine (PubChem CID 63272064) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine
PubChem CID63272064
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(N(C)Cc2ccc(Br)cc2)c1C
InChIInChI=1S/C14H15BrClN3/c1-9-10(2)14(18-17-13(9)16)19(3)8-11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3
InChIKeyBXFSWEAFIZHEGG-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine (CID 63272064) is N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine is Cc1c(Cl)nnc(N(C)Cc2ccc(Br)cc2)c1C.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine?
The InChIKey is BXFSWEAFIZHEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-9-10(2)14(18-17-13(9)16)19(3)8-11-4-6-12(15)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine?
N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine has a molecular weight of 340.65 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-chloro-N,4,5-trimethylpyridazin-3-amine is sourced from PubChem (CID 63272064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).