(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine

C12H15N5O — CID 95842105

IUPAC(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
SMILESc1cnc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cn1
InChIInChI=1S/C12H15N5O/c1-2-14-10(7-13-1)11-8-17(5-6-18-11)9-12-15-3-4-16-12/h1-4,7,11H,5-6,8-9H2,(H,15,16)/t11-/m0/s1
InChIKeyDEKXBPCSEHBDQB-NSHDSACASA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds3

About (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine

(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine (PubChem CID 95842105) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
PubChem CID95842105
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
SMILESc1cnc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cn1
InChIInChI=1S/C12H15N5O/c1-2-14-10(7-13-1)11-8-17(5-6-18-11)9-12-15-3-4-16-12/h1-4,7,11H,5-6,8-9H2,(H,15,16)/t11-/m0/s1
InChIKeyDEKXBPCSEHBDQB-NSHDSACASA-N
XLogP0.77
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 110103183
(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124939802
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 124948146
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
2-[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 166398790
N-[6-[(2R)-4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 125018681
4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 127246320
(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124951754
2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250858
(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124966375
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine?
The IUPAC name of (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine (CID 95842105) is (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine.
What is the SMILES notation for (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine?
The canonical SMILES for (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine is c1cnc([C@@H]2CN(Cc3ncc[nH]3)CCO2)cn1.
What is the InChIKey of (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine?
The InChIKey is DEKXBPCSEHBDQB-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-14-10(7-13-1)11-8-17(5-6-18-11)9-12-15-3-4-16-12/h1-4,7,11H,5-6,8-9H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine?
(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine has a molecular weight of 245.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine is sourced from PubChem (CID 95842105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).