N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine

C14H19N3 — CID 141292582

IUPACN-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine
SMILESc1cc2c(NC3CCCCCC3)ccnn2c1
InChIInChI=1S/C14H19N3/c1-2-4-7-12(6-3-1)16-13-9-10-15-17-11-5-8-14(13)17/h5,8-12,16H,1-4,6-7H2
InChIKeyFDALDQRMNZTTCK-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.47
Rot. Bonds2

About N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine

N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine (PubChem CID 141292582) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine.

Molecular Properties

Compound NameN-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine
PubChem CID141292582
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine
SMILESc1cc2c(NC3CCCCCC3)ccnn2c1
InChIInChI=1S/C14H19N3/c1-2-4-7-12(6-3-1)16-13-9-10-15-17-11-5-8-14(13)17/h5,8-12,16H,1-4,6-7H2
InChIKeyFDALDQRMNZTTCK-UHFFFAOYSA-N
XLogP3.47
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine?
The IUPAC name of N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine (CID 141292582) is N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine.
What is the SMILES notation for N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine?
The canonical SMILES for N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine is c1cc2c(NC3CCCCCC3)ccnn2c1.
What is the InChIKey of N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine?
The InChIKey is FDALDQRMNZTTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-4-7-12(6-3-1)16-13-9-10-15-17-11-5-8-14(13)17/h5,8-12,16H,1-4,6-7H2.
What are the key properties of N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine?
N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylpyrrolo[1,2-b]pyridazin-4-amine is sourced from PubChem (CID 141292582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).