N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine

C13H17N5O2 — CID 96512678

IUPACN-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
SMILESc1cnnc(NC[C@H]2CN(Cc3ccon3)CCO2)c1
InChIInChI=1S/C13H17N5O2/c1-2-13(16-15-4-1)14-8-12-10-18(5-7-19-12)9-11-3-6-20-17-11/h1-4,6,12H,5,7-10H2,(H,14,16)/t12-/m0/s1
InChIKeyUQKUUYVPJIDFTH-LBPRGKRZSA-N
MW275.31 g/mol
LogP0.78
Rot. Bonds5

About N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine

N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine (PubChem CID 96512678) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
PubChem CID96512678
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
SMILESc1cnnc(NC[C@H]2CN(Cc3ccon3)CCO2)c1
InChIInChI=1S/C13H17N5O2/c1-2-13(16-15-4-1)14-8-12-10-18(5-7-19-12)9-11-3-6-20-17-11/h1-4,6,12H,5,7-10H2,(H,14,16)/t12-/m0/s1
InChIKeyUQKUUYVPJIDFTH-LBPRGKRZSA-N
XLogP0.78
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928020
N-[[4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872233
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-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
N-[[(2R)-4-(oxan-4-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512573
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872271
N-[[4-(oxolan-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872272
N-[[(2R)-4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512563
N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872217
N-[[4-[(5-chloro-2-methoxyphenyl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928027
N-[[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928034
N-[[(2R)-4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512555

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine (CID 96512678) is N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine is c1cnnc(NC[C@H]2CN(Cc3ccon3)CCO2)c1.
What is the InChIKey of N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is UQKUUYVPJIDFTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-13(16-15-4-1)14-8-12-10-18(5-7-19-12)9-11-3-6-20-17-11/h1-4,6,12H,5,7-10H2,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 275.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 96512678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).