1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol

C18H28N4O — CID 126918758

IUPAC1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CN(c3cc4c(nn3)CCC4)C2)CCCCC1
InChIInChI=1S/C18H28N4O/c23-18(7-2-1-3-8-18)13-19-10-14-11-22(12-14)17-9-15-5-4-6-16(15)20-21-17/h9,14,19,23H,1-8,10-13H2
InChIKeySBZUQBLTWHUGPY-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.69
Rot. Bonds5

About 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol

1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 126918758) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID126918758
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CN(c3cc4c(nn3)CCC4)C2)CCCCC1
InChIInChI=1S/C18H28N4O/c23-18(7-2-1-3-8-18)13-19-10-14-11-22(12-14)17-9-15-5-4-6-16(15)20-21-17/h9,14,19,23H,1-8,10-13H2
InChIKeySBZUQBLTWHUGPY-UHFFFAOYSA-N
XLogP1.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

6-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,4-dioxepan-6-ol
CID 126918720
1-[3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126918712
3-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1-methylsulfonylpyrrolidin-3-ol
CID 126918714
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126917215
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]cyclopentan-1-ol
CID 126918719
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine
CID 126919375
1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine
CID 126918654
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide
CID 126918618
6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 126918567

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol (CID 126918758) is 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol is OC1(CNCC2CN(c3cc4c(nn3)CCC4)C2)CCCCC1.
What is the InChIKey of 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is SBZUQBLTWHUGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(7-2-1-3-8-18)13-19-10-14-11-22(12-14)17-9-15-5-4-6-16(15)20-21-17/h9,14,19,23H,1-8,10-13H2.
What are the key properties of 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 316.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126918758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).