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

C12H17ClN4O — CID 166487583

IUPAC1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
SMILESClc1nnc(N[C@@H]2CCCNC2)c2c1CCOC2
InChIInChI=1S/C12H17ClN4O/c13-11-9-3-5-18-7-10(9)12(17-16-11)15-8-2-1-4-14-6-8/h8,14H,1-7H2,(H,15,17)/t8-/m1/s1
InChIKeyGYESFHMNTRXPBZ-MRVPVSSYSA-N
MW268.75 g/mol
LogP1.37
Rot. Bonds2

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

1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine (PubChem CID 166487583) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
PubChem CID166487583
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
SMILESClc1nnc(N[C@@H]2CCCNC2)c2c1CCOC2
InChIInChI=1S/C12H17ClN4O/c13-11-9-3-5-18-7-10(9)12(17-16-11)15-8-2-1-4-14-6-8/h8,14H,1-7H2,(H,15,17)/t8-/m1/s1
InChIKeyGYESFHMNTRXPBZ-MRVPVSSYSA-N
XLogP1.37
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride
CID 171837818
1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 168973381
cis-(1R,2R)-2-[(4-chloro-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-1-yl)amino]cyclohexane-1-carbonitrile
CID 177071256
6-chloro-5-cyclobutyl-N-[(3R)-piperidin-3-yl]pyridazin-3-amine
CID 171545330
5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 78990540
3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol
CID 167138133
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
6-chloro-N-piperidin-3-ylpyridin-2-amine
CID 71564691
N-piperidin-3-yl-1,3-oxazol-2-amine
CID 112709406
5-bromo-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 83844973

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine (CID 166487583) is 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine is Clc1nnc(N[C@@H]2CCCNC2)c2c1CCOC2.
What is the InChIKey of 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
The InChIKey is GYESFHMNTRXPBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-11-9-3-5-18-7-10(9)12(17-16-11)15-8-2-1-4-14-6-8/h8,14H,1-7H2,(H,15,17)/t8-/m1/s1.
What are the key properties of 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine?
1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine has a molecular weight of 268.75 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 166487583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).