2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C22H30N8O2 — CID 126938399

IUPAC2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCc1nc2ncnn2c(NCC2CCCCN2CCn2nc3c(cc2=O)COCC3)c1C
InChIInChI=1S/C22H30N8O2/c1-15-16(2)26-22-24-14-25-30(22)21(15)23-12-18-5-3-4-7-28(18)8-9-29-20(31)11-17-13-32-10-6-19(17)27-29/h11,14,18,23H,3-10,12-13H2,1-2H3
InChIKeyNLXOVBAFZSAJOP-UHFFFAOYSA-N
MW438.54 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126938399) has the molecular formula C22H30N8O2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126938399
Molecular FormulaC22H30N8O2
Molecular Weight438.54 g/mol
Exact Mass438.25
IUPAC Name2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCc1nc2ncnn2c(NCC2CCCCN2CCn2nc3c(cc2=O)COCC3)c1C
InChIInChI=1S/C22H30N8O2/c1-15-16(2)26-22-24-14-25-30(22)21(15)23-12-18-5-3-4-7-28(18)8-9-29-20(31)11-17-13-32-10-6-19(17)27-29/h11,14,18,23H,3-10,12-13H2,1-2H3
InChIKeyNLXOVBAFZSAJOP-UHFFFAOYSA-N
XLogP1.34
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-[2-[2-[[(2-methyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938404
2-[2-[2-[(1,3-thiazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938403
2-[2-[2-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938481
2-[2-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126938482
1-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 126938378
N-[[1-[2-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-indole-2-carboxamide
CID 126938334
2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938231
2-[2-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938277
2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938267
2-[2-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126938587
2-[2-[2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938063
2-[2-[2-[(5,6,7,8-tetrahydrocinnolin-3-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938134

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126938399) is 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is Cc1nc2ncnn2c(NCC2CCCCN2CCn2nc3c(cc2=O)COCC3)c1C.
What is the InChIKey of 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is NLXOVBAFZSAJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O2/c1-15-16(2)26-22-24-14-25-30(22)21(15)23-12-18-5-3-4-7-28(18)8-9-29-20(31)11-17-13-32-10-6-19(17)27-29/h11,14,18,23H,3-10,12-13H2,1-2H3.
What are the key properties of 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 438.54 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]ethyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126938399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).