1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol

C18H28N4O — CID 126917215

IUPAC1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CN(c3ccc(C4CC4)nn3)C2)CCCCC1
InChIInChI=1S/C18H28N4O/c23-18(8-2-1-3-9-18)13-19-10-14-11-22(12-14)17-7-6-16(20-21-17)15-4-5-15/h6-7,14-15,19,23H,1-5,8-13H2
InChIKeySYWFFYJVTPAQPA-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.08
Rot. Bonds6

About 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol

1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 126917215) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID126917215
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CN(c3ccc(C4CC4)nn3)C2)CCCCC1
InChIInChI=1S/C18H28N4O/c23-18(8-2-1-3-9-18)13-19-10-14-11-22(12-14)17-7-6-16(20-21-17)15-4-5-15/h6-7,14-15,19,23H,1-5,8-13H2
InChIKeySYWFFYJVTPAQPA-UHFFFAOYSA-N
XLogP2.08
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126922638
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126918758
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]oxolane-3-carboxamide
CID 126916955
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126916983
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 126917112
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126917195
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 126917193
1-[1-(6-cyclobutylpyridazin-3-yl)piperidin-3-yl]-N-methylmethanamine
CID 116972459
3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol
CID 126917626
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 126917048

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol (CID 126917215) is 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol is OC1(CNCC2CN(c3ccc(C4CC4)nn3)C2)CCCCC1.
What is the InChIKey of 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is SYWFFYJVTPAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(8-2-1-3-9-18)13-19-10-14-11-22(12-14)17-7-6-16(20-21-17)15-4-5-15/h6-7,14-15,19,23H,1-5,8-13H2.
What are the key properties of 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 316.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 126917215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).