(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile

C15H20N6O — CID 98775216

IUPAC(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
SMILESN#CCC[C@H](C#N)CN1CCO[C@H](CNc2cccnn2)C1
InChIInChI=1S/C15H20N6O/c16-5-1-3-13(9-17)11-21-7-8-22-14(12-21)10-18-15-4-2-6-19-20-15/h2,4,6,13-14H,1,3,7-8,10-12H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyLETRESOXUZQMID-ZIAGYGMSSA-N
MW300.37 g/mol
LogP1.03
Rot. Bonds7

About (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile

(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile (PubChem CID 98775216) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
PubChem CID98775216
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
SMILESN#CCC[C@H](C#N)CN1CCO[C@H](CNc2cccnn2)C1
InChIInChI=1S/C15H20N6O/c16-5-1-3-13(9-17)11-21-7-8-22-14(12-21)10-18-15-4-2-6-19-20-15/h2,4,6,13-14H,1,3,7-8,10-12H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyLETRESOXUZQMID-ZIAGYGMSSA-N
XLogP1.03
TPSA97.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile with MolForge

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Related Compounds

N-[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928020
N-[[(2R)-4-(oxan-4-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512573
N-[[(2R)-4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512563
N-[[(2R)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512611
N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872217
N-[[4-(oxolan-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872272
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872271
N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512678
N-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
1-[3-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 71872215
N-propan-2-yl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512499
N-[[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928034

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
The IUPAC name of (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile (CID 98775216) is (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
The canonical SMILES for (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile is N#CCC[C@H](C#N)CN1CCO[C@H](CNc2cccnn2)C1.
What is the InChIKey of (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
The InChIKey is LETRESOXUZQMID-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H20N6O/c16-5-1-3-13(9-17)11-21-7-8-22-14(12-21)10-18-15-4-2-6-19-20-15/h2,4,6,13-14H,1,3,7-8,10-12H2,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile?
(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile has a molecular weight of 300.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile is sourced from PubChem (CID 98775216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).