N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine

C11H15N3 — CID 89309682

IUPACN-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine
SMILESCC[C@H](C)Nc1ccnn2cccc12
InChIInChI=1S/C11H15N3/c1-3-9(2)13-10-6-7-12-14-8-4-5-11(10)14/h4-9,13H,3H2,1-2H3/t9-/m0/s1
InChIKeyQHSDQSMTRCQERF-VIFPVBQESA-N
MW189.26 g/mol
LogP2.54
Rot. Bonds3

About N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine

N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine (PubChem CID 89309682) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine
PubChem CID89309682
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine
SMILESCC[C@H](C)Nc1ccnn2cccc12
InChIInChI=1S/C11H15N3/c1-3-9(2)13-10-6-7-12-14-8-4-5-11(10)14/h4-9,13H,3H2,1-2H3/t9-/m0/s1
InChIKeyQHSDQSMTRCQERF-VIFPVBQESA-N
XLogP2.54
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine?
The IUPAC name of N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine (CID 89309682) is N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine is CC[C@H](C)Nc1ccnn2cccc12.
What is the InChIKey of N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine?
The InChIKey is QHSDQSMTRCQERF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3/c1-3-9(2)13-10-6-7-12-14-8-4-5-11(10)14/h4-9,13H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine?
N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine has a molecular weight of 189.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]pyrrolo[1,2-b]pyridazin-4-amine is sourced from PubChem (CID 89309682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).