4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine

C14H17N7O — CID 127720585

IUPAC4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESc1cn2c(CN3CCOC(Cn4cncn4)C3)cnc2cn1
InChIInChI=1S/C14H17N7O/c1-2-21-12(5-17-14(21)6-15-1)7-19-3-4-22-13(8-19)9-20-11-16-10-18-20/h1-2,5-6,10-11,13H,3-4,7-9H2
InChIKeyHYCDZPBVKKBFQT-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.22
Rot. Bonds4

About 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine

4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 127720585) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID127720585
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESc1cn2c(CN3CCOC(Cn4cncn4)C3)cnc2cn1
InChIInChI=1S/C14H17N7O/c1-2-21-12(5-17-14(21)6-15-1)7-19-3-4-22-13(8-19)9-20-11-16-10-18-20/h1-2,5-6,10-11,13H,3-4,7-9H2
InChIKeyHYCDZPBVKKBFQT-UHFFFAOYSA-N
XLogP0.22
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129338735
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
2-(4-benzylmorpholin-2-yl)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)acetamide
CID 90651071
(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95346647
(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 96500484
(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876
N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95750628
2-phenyl-1-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 56780681
(2S)-2-phenyl-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610148
(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 127720585) is 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine is c1cn2c(CN3CCOC(Cn4cncn4)C3)cnc2cn1.
What is the InChIKey of 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is HYCDZPBVKKBFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-2-21-12(5-17-14(21)6-15-1)7-19-3-4-22-13(8-19)9-20-11-16-10-18-20/h1-2,5-6,10-11,13H,3-4,7-9H2.
What are the key properties of 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine?
4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 299.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 127720585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).