N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine

C12H16ClN3 — CID 114478130

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine
SMILESClc1cc(NCC2CC3CCC2C3)cnn1
InChIInChI=1S/C12H16ClN3/c13-12-5-11(7-15-16-12)14-6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2,(H,14,16)
InChIKeyIGDZKCMJRNPYHI-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.98
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine (PubChem CID 114478130) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine
PubChem CID114478130
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine
SMILESClc1cc(NCC2CC3CCC2C3)cnn1
InChIInChI=1S/C12H16ClN3/c13-12-5-11(7-15-16-12)14-6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2,(H,14,16)
InChIKeyIGDZKCMJRNPYHI-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
CID 79554344
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxybenzene-1,3-diamine
CID 80736084
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
CID 115490922
6-chloro-N-ethylpyridazin-4-amine
CID 88853962
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
CID 79554670
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine (CID 114478130) is N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine is Clc1cc(NCC2CC3CCC2C3)cnn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine?
The InChIKey is IGDZKCMJRNPYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c13-12-5-11(7-15-16-12)14-6-10-4-8-1-2-9(10)3-8/h5,7-10H,1-4,6H2,(H,14,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine has a molecular weight of 237.73 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyridazin-4-amine is sourced from PubChem (CID 114478130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).