[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C16H22N4O2 — CID 165434865

IUPAC[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ccc(C3CC3)nn2)C1)N1CCOCC1
InChIInChI=1S/C16H22N4O2/c21-16(19-7-9-22-10-8-19)13-5-6-20(11-13)15-4-3-14(17-18-15)12-1-2-12/h3-4,12-13H,1-2,5-11H2
InChIKeyMLOMLBKMJWNSEW-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.04
Rot. Bonds3

About [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 165434865) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID165434865
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ccc(C3CC3)nn2)C1)N1CCOCC1
InChIInChI=1S/C16H22N4O2/c21-16(19-7-9-22-10-8-19)13-5-6-20(11-13)15-4-3-14(17-18-15)12-1-2-12/h3-4,12-13H,1-2,5-11H2
InChIKeyMLOMLBKMJWNSEW-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 165434865) is [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2ccc(C3CC3)nn2)C1)N1CCOCC1.
What is the InChIKey of [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is MLOMLBKMJWNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(19-7-9-22-10-8-19)13-5-6-20(11-13)15-4-3-14(17-18-15)12-1-2-12/h3-4,12-13H,1-2,5-11H2.
What are the key properties of [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 302.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165434865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).