3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile

C12H17N5 — CID 80510426

IUPAC3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCN1CCC(CNc2nnccc2C#N)C1
InChIInChI=1S/C12H17N5/c1-2-17-6-4-10(9-17)8-14-12-11(7-13)3-5-15-16-12/h3,5,10H,2,4,6,8-9H2,1H3,(H,14,16)
InChIKeyYPSDLIDJMBDINF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.10
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile

3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80510426) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
PubChem CID80510426
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCN1CCC(CNc2nnccc2C#N)C1
InChIInChI=1S/C12H17N5/c1-2-17-6-4-10(9-17)8-14-12-11(7-13)3-5-15-16-12/h3,5,10H,2,4,6,8-9H2,1H3,(H,14,16)
InChIKeyYPSDLIDJMBDINF-UHFFFAOYSA-N
XLogP1.10
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile (CID 80510426) is 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile is CCN1CCC(CNc2nnccc2C#N)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is YPSDLIDJMBDINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-17-6-4-10(9-17)8-14-12-11(7-13)3-5-15-16-12/h3,5,10H,2,4,6,8-9H2,1H3,(H,14,16).
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).