4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine

C12H15N5O — CID 110103183

IUPAC4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
SMILESc1cnc(C2CN(Cc3cnc[nH]3)CCO2)cn1
InChIInChI=1S/C12H15N5O/c1-2-15-11(6-13-1)12-8-17(3-4-18-12)7-10-5-14-9-16-10/h1-2,5-6,9,12H,3-4,7-8H2,(H,14,16)
InChIKeyHUCGUIQQDDYUED-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds3

About 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine

4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine (PubChem CID 110103183) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
PubChem CID110103183
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
SMILESc1cnc(C2CN(Cc3cnc[nH]3)CCO2)cn1
InChIInChI=1S/C12H15N5O/c1-2-15-11(6-13-1)12-8-17(3-4-18-12)7-10-5-14-9-16-10/h1-2,5-6,9,12H,3-4,7-8H2,(H,14,16)
InChIKeyHUCGUIQQDDYUED-UHFFFAOYSA-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-pyridin-2-ylmorpholine
CID 110271963
(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 95842105
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 124944985
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124951754
4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 127246320
N-[[2-[(2R)-4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125026880
2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 124941248
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine (CID 110103183) is 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine is c1cnc(C2CN(Cc3cnc[nH]3)CCO2)cn1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine?
The InChIKey is HUCGUIQQDDYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-15-11(6-13-1)12-8-17(3-4-18-12)7-10-5-14-9-16-10/h1-2,5-6,9,12H,3-4,7-8H2,(H,14,16).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine?
4-(1H-imidazol-5-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 4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine is sourced from PubChem (CID 110103183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).