3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile

C16H25N5 — CID 106738206

IUPAC3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC(CN)C2CCCC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-3-12-13(9-17)16(21-20-14(12)4-2)19-15(10-18)11-7-5-6-8-11/h11,15H,3-8,10,18H2,1-2H3,(H,19,21)
InChIKeyJWAOCCYQIYCBSO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.40
Rot. Bonds6

About 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 106738206) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID106738206
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC(CN)C2CCCC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5/c1-3-12-13(9-17)16(21-20-14(12)4-2)19-15(10-18)11-7-5-6-8-11/h11,15H,3-8,10,18H2,1-2H3,(H,19,21)
InChIKeyJWAOCCYQIYCBSO-UHFFFAOYSA-N
XLogP2.40
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 106738206) is 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NC(CN)C2CCCC2)c(C#N)c1CC.
What is the InChIKey of 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is JWAOCCYQIYCBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-12-13(9-17)16(21-20-14(12)4-2)19-15(10-18)11-7-5-6-8-11/h11,15H,3-8,10,18H2,1-2H3,(H,19,21).
What are the key properties of 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 106738206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).