4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile

C13H14N4 — CID 50914030

IUPAC4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnn2cccc2c1NC1CCCC1
InChIInChI=1S/C13H14N4/c14-8-10-9-15-17-7-3-6-12(17)13(10)16-11-4-1-2-5-11/h3,6-7,9,11,16H,1-2,4-5H2
InChIKeyAAISDTJKQPLAKF-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.56
Rot. Bonds2

About 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile

4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 50914030) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID50914030
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnn2cccc2c1NC1CCCC1
InChIInChI=1S/C13H14N4/c14-8-10-9-15-17-7-3-6-12(17)13(10)16-11-4-1-2-5-11/h3,6-7,9,11,16H,1-2,4-5H2
InChIKeyAAISDTJKQPLAKF-UHFFFAOYSA-N
XLogP2.56
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 50914030) is 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnn2cccc2c1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is AAISDTJKQPLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-8-10-9-15-17-7-3-6-12(17)13(10)16-11-4-1-2-5-11/h3,6-7,9,11,16H,1-2,4-5H2.
What are the key properties of 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 50914030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).