4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C14H18N4O2 — CID 118723921

IUPAC4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@]1(O)CCC[C@H]1Nc1c(C(N)=O)cnn2cccc12
InChIInChI=1S/C14H18N4O2/c1-14(20)6-2-5-11(14)17-12-9(13(15)19)8-16-18-7-3-4-10(12)18/h3-4,7-8,11,17,20H,2,5-6H2,1H3,(H2,15,19)/t11-,14+/m1/s1
InChIKeyQJPWFJUJHXVLEI-RISCZKNCSA-N
MW274.32 g/mol
LogP1.15
Rot. Bonds3

About 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118723921) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID118723921
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@]1(O)CCC[C@H]1Nc1c(C(N)=O)cnn2cccc12
InChIInChI=1S/C14H18N4O2/c1-14(20)6-2-5-11(14)17-12-9(13(15)19)8-16-18-7-3-4-10(12)18/h3-4,7-8,11,17,20H,2,5-6H2,1H3,(H2,15,19)/t11-,14+/m1/s1
InChIKeyQJPWFJUJHXVLEI-RISCZKNCSA-N
XLogP1.15
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 118723921) is 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is C[C@]1(O)CCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.
What is the InChIKey of 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QJPWFJUJHXVLEI-RISCZKNCSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-14(20)6-2-5-11(14)17-12-9(13(15)19)8-16-18-7-3-4-10(12)18/h3-4,7-8,11,17,20H,2,5-6H2,1H3,(H2,15,19)/t11-,14+/m1/s1.
What are the key properties of 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-hydroxy-2-methylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118723921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).