1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine

C13H15ClN4O — CID 170173524

IUPAC1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESCC1(C)C[C@H](Nc2nnc(Cl)c3ccncc23)CO1
InChIInChI=1S/C13H15ClN4O/c1-13(2)5-8(7-19-13)16-12-10-6-15-4-3-9(10)11(14)17-18-12/h3-4,6,8H,5,7H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeyAMZQLHKNSYFKEA-QMMMGPOBSA-N
MW278.74 g/mol
LogP2.66
Rot. Bonds2

About 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine

1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 170173524) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID170173524
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESCC1(C)C[C@H](Nc2nnc(Cl)c3ccncc23)CO1
InChIInChI=1S/C13H15ClN4O/c1-13(2)5-8(7-19-13)16-12-10-6-15-4-3-9(10)11(14)17-18-12/h3-4,6,8H,5,7H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeyAMZQLHKNSYFKEA-QMMMGPOBSA-N
XLogP2.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine (CID 170173524) is 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine is CC1(C)C[C@H](Nc2nnc(Cl)c3ccncc23)CO1.
What is the InChIKey of 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is AMZQLHKNSYFKEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-13(2)5-8(7-19-13)16-12-10-6-15-4-3-9(10)11(14)17-18-12/h3-4,6,8H,5,7H2,1-2H3,(H,16,18)/t8-/m0/s1.
What are the key properties of 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine?
1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 278.74 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 170173524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).