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

C12H14ClN5 — CID 168973381

IUPAC1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESClc1nnc(N[C@@H]2CCCNC2)c2cnccc12
InChIInChI=1S/C12H14ClN5/c13-11-9-3-5-15-7-10(9)12(18-17-11)16-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H,16,18)/t8-/m1/s1
InChIKeyKVJWCBCTEHZLCM-MRVPVSSYSA-N
MW263.73 g/mol
LogP1.84
Rot. Bonds2

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

1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 168973381) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID168973381
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
SMILESClc1nnc(N[C@@H]2CCCNC2)c2cnccc12
InChIInChI=1S/C12H14ClN5/c13-11-9-3-5-15-7-10(9)12(18-17-11)16-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H,16,18)/t8-/m1/s1
InChIKeyKVJWCBCTEHZLCM-MRVPVSSYSA-N
XLogP1.84
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-N-[(3R)-1-ethylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171830814
1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 170173524
4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride
CID 171837818
4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614
N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 141413091
1-chloro-N-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrano[3,4-d]pyridazin-4-amine
CID 166487583
[2-[4-[[(3R)-azepan-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenyl] formate
CID 171852265
N-[(3S)-piperidin-3-yl]-3-pyridin-3-ylpyrazin-2-amine
CID 174673884
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098602
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine (CID 168973381) is 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine is Clc1nnc(N[C@@H]2CCCNC2)c2cnccc12.
What is the InChIKey of 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is KVJWCBCTEHZLCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-11-9-3-5-15-7-10(9)12(18-17-11)16-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H,16,18)/t8-/m1/s1.
What are the key properties of 1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine?
1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 1.84, 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]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 168973381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).