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

C15H21N5O — CID 50914486

IUPAC6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc(N)cc12
InChIInChI=1S/C15H21N5O/c1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20/h6-9,12,19H,2-5,16H2,1H3,(H2,17,21)/t9-,12+/m1/s1
InChIKeyYZBIJDBVFBMZNJ-SKDRFNHKSA-N
MW287.37 g/mol
LogP2.01
Rot. Bonds3

About 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 50914486) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID50914486
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc(N)cc12
InChIInChI=1S/C15H21N5O/c1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20/h6-9,12,19H,2-5,16H2,1H3,(H2,17,21)/t9-,12+/m1/s1
InChIKeyYZBIJDBVFBMZNJ-SKDRFNHKSA-N
XLogP2.01
TPSA98.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 50914486) is 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc(N)cc12.
What is the InChIKey of 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YZBIJDBVFBMZNJ-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20/h6-9,12,19H,2-5,16H2,1H3,(H2,17,21)/t9-,12+/m1/s1.
What are the key properties of 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 50914486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).