1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine

C14H18ClN5 — CID 171830814

IUPAC1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nnc(Cl)c3ccncc23)C1
InChIInChI=1S/C14H18ClN5/c1-2-20-7-3-4-10(9-20)17-14-12-8-16-6-5-11(12)13(15)18-19-14/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyRZFFQTGZBSRPNT-SNVBAGLBSA-N
MW291.79 g/mol
LogP2.57
Rot. Bonds3

About 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine

1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 171830814) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID171830814
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESCCN1CCC[C@@H](Nc2nnc(Cl)c3ccncc23)C1
InChIInChI=1S/C14H18ClN5/c1-2-20-7-3-4-10(9-20)17-14-12-8-16-6-5-11(12)13(15)18-19-14/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyRZFFQTGZBSRPNT-SNVBAGLBSA-N
XLogP2.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine with MolForge

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Related Compounds

4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127
7-chloro-N-(1-ethylpiperidin-3-yl)thieno[2,3-d]pyridazin-4-amine
CID 172542987
1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 168973381
6-N-(1-ethylpiperidin-3-yl)isoquinoline-5,6-diamine
CID 106947805
N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-1-(4-methoxyphenyl)pyrido[3,4-d]pyridazin-4-amine
CID 169230521
5-chloro-3-fluoro-2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171852585
5-chloro-N-(1-ethylpiperidin-3-yl)pyridin-2-amine
CID 61170004
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 170173524
3,5-dichloro-2-N-ethyl-6-N-(1-ethylpiperidin-3-yl)pyridine-2,6-diamine
CID 102756946
3-fluoro-2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 171852590
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (CID 171830814) is 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine is CCN1CCC[C@@H](Nc2nnc(Cl)c3ccncc23)C1.
What is the InChIKey of 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is RZFFQTGZBSRPNT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-2-20-7-3-4-10(9-20)17-14-12-8-16-6-5-11(12)13(15)18-19-14/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 171830814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).