6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine

C11H16ClN3 — CID 63655754

IUPAC6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine
SMILESCN(CC1CCCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-15(8-9-4-2-3-5-9)11-7-6-10(12)13-14-11/h6-7,9H,2-5,8H2,1H3
InChIKeyPWEQPYIMZDUVPG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.76
Rot. Bonds3

About 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine

6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine (PubChem CID 63655754) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine
PubChem CID63655754
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine
SMILESCN(CC1CCCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3/c1-15(8-9-4-2-3-5-9)11-7-6-10(12)13-14-11/h6-7,9H,2-5,8H2,1H3
InChIKeyPWEQPYIMZDUVPG-UHFFFAOYSA-N
XLogP2.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine (CID 63655754) is 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine is CN(CC1CCCC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine?
The InChIKey is PWEQPYIMZDUVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15(8-9-4-2-3-5-9)11-7-6-10(12)13-14-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine?
6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine has a molecular weight of 225.72 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 63655754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).