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

C13H17N5 — CID 80515476

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H17N5/c14-7-11-3-5-16-17-13(11)15-8-10-4-6-18(9-10)12-1-2-12/h3,5,10,12H,1-2,4,6,8-9H2,(H,15,17)
InChIKeyFNYUDBOHVXLYIZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.24
Rot. Bonds4

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

3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80515476) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
PubChem CID80515476
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H17N5/c14-7-11-3-5-16-17-13(11)15-8-10-4-6-18(9-10)12-1-2-12/h3,5,10,12H,1-2,4,6,8-9H2,(H,15,17)
InChIKeyFNYUDBOHVXLYIZ-UHFFFAOYSA-N
XLogP1.24
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile (CID 80515476) is 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC1CCN(C2CC2)C1.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is FNYUDBOHVXLYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-7-11-3-5-16-17-13(11)15-8-10-4-6-18(9-10)12-1-2-12/h3,5,10,12H,1-2,4,6,8-9H2,(H,15,17).
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile?
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).