5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine

C13H23N5 — CID 58227104

IUPAC5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine
SMILESCN(CCN)c1cnnc(NCC2CCCC2)c1
InChIInChI=1S/C13H23N5/c1-18(7-6-14)12-8-13(17-16-10-12)15-9-11-4-2-3-5-11/h8,10-11H,2-7,9,14H2,1H3,(H,15,17)
InChIKeyQZSUVDUZCIECLY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.47
Rot. Bonds6

About 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine

5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine (PubChem CID 58227104) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine
PubChem CID58227104
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine
SMILESCN(CCN)c1cnnc(NCC2CCCC2)c1
InChIInChI=1S/C13H23N5/c1-18(7-6-14)12-8-13(17-16-10-12)15-9-11-4-2-3-5-11/h8,10-11H,2-7,9,14H2,1H3,(H,15,17)
InChIKeyQZSUVDUZCIECLY-UHFFFAOYSA-N
XLogP1.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine (CID 58227104) is 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine is CN(CCN)c1cnnc(NCC2CCCC2)c1.
What is the InChIKey of 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine?
The InChIKey is QZSUVDUZCIECLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-18(7-6-14)12-8-13(17-16-10-12)15-9-11-4-2-3-5-11/h8,10-11H,2-7,9,14H2,1H3,(H,15,17).
What are the key properties of 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine?
5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-3-N-(cyclopentylmethyl)-5-N-methylpyridazine-3,5-diamine is sourced from PubChem (CID 58227104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).