[(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

C15H24N4O2 — CID 72925927

IUPAC[(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)nn1
InChIInChI=1S/C15H24N4O2/c1-12-2-3-15(17-16-12)19-9-13(14(10-19)11-20)8-18-4-6-21-7-5-18/h2-3,13-14,20H,4-11H2,1H3/t13-,14-/m1/s1
InChIKeyMSABIWXJCLAQIZ-ZIAGYGMSSA-N
MW292.38 g/mol
LogP0.16
Rot. Bonds4

About [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 72925927) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID72925927
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCc1ccc(N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)nn1
InChIInChI=1S/C15H24N4O2/c1-12-2-3-15(17-16-12)19-9-13(14(10-19)11-20)8-18-4-6-21-7-5-18/h2-3,13-14,20H,4-11H2,1H3/t13-,14-/m1/s1
InChIKeyMSABIWXJCLAQIZ-ZIAGYGMSSA-N
XLogP0.16
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 72925927) is [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is Cc1ccc(N2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)nn1.
What is the InChIKey of [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is MSABIWXJCLAQIZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-2-3-15(17-16-12)19-9-13(14(10-19)11-20)8-18-4-6-21-7-5-18/h2-3,13-14,20H,4-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 292.38 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72925927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).