N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine

C13H20N4O — CID 175837863

IUPACN-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
SMILESCN1CCC[C@@H](Nc2nncc3c2COCC3)C1
InChIInChI=1S/C13H20N4O/c1-17-5-2-3-11(8-17)15-13-12-9-18-6-4-10(12)7-14-16-13/h7,11H,2-6,8-9H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyBQSBHHZZEGSEBK-LLVKDONJSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds2

About N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine

N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine (PubChem CID 175837863) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
PubChem CID175837863
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
SMILESCN1CCC[C@@H](Nc2nncc3c2COCC3)C1
InChIInChI=1S/C13H20N4O/c1-17-5-2-3-11(8-17)15-13-12-9-18-6-4-10(12)7-14-16-13/h7,11H,2-6,8-9H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyBQSBHHZZEGSEBK-LLVKDONJSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine with MolForge

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Related Compounds

2-[1-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-yl]phenol
CID 170163260
5-methoxy-2-[4-[(1-methylpiperidin-3-yl)amino]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl]phenol
CID 170163759
N-(2,3-dihydrofuran-4-yl)-1-methylpiperidin-3-amine
CID 175885568
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560820
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
3-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 167137603
N-(1-cyclopropylpiperidin-3-yl)-1-(4-methoxyphenyl)-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
CID 170166878
N-(1-methylazepan-3-yl)-1,3-oxazol-2-amine
CID 83484641
N-(furan-3-yl)-1-methylpiperidin-3-amine
CID 163213114
2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol
CID 170259554

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine (CID 175837863) is N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine is CN1CCC[C@@H](Nc2nncc3c2COCC3)C1.
What is the InChIKey of N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The InChIKey is BQSBHHZZEGSEBK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-5-2-3-11(8-17)15-13-12-9-18-6-4-10(12)7-14-16-13/h7,11H,2-6,8-9H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 175837863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).