1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol

C16H26N4O2 — CID 71927150

IUPAC1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCOC(CNc3cccnn3)C2)CCCCC1
InChIInChI=1S/C16H26N4O2/c21-16(6-2-1-3-7-16)13-20-9-10-22-14(12-20)11-17-15-5-4-8-18-19-15/h4-5,8,14,21H,1-3,6-7,9-13H2,(H,17,19)
InChIKeyUKIBVTNKKMUFJP-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.28
Rot. Bonds5

About 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol

1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol (PubChem CID 71927150) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
PubChem CID71927150
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCOC(CNc3cccnn3)C2)CCCCC1
InChIInChI=1S/C16H26N4O2/c21-16(6-2-1-3-7-16)13-20-9-10-22-14(12-20)11-17-15-5-4-8-18-19-15/h4-5,8,14,21H,1-3,6-7,9-13H2,(H,17,19)
InChIKeyUKIBVTNKKMUFJP-UHFFFAOYSA-N
XLogP1.28
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol (CID 71927150) is 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol is OC1(CN2CCOC(CNc3cccnn3)C2)CCCCC1.
What is the InChIKey of 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
The InChIKey is UKIBVTNKKMUFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-16(6-2-1-3-7-16)13-20-9-10-22-14(12-20)11-17-15-5-4-8-18-19-15/h4-5,8,14,21H,1-3,6-7,9-13H2,(H,17,19).
What are the key properties of 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol?
1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 71927150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).