1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol

C18H25N5O2 — CID 111477041

IUPAC1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol
SMILESOC(CN1CCOCC1)CN1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C18H25N5O2/c24-16(12-21-8-10-25-11-9-21)13-22-6-7-23-17(14-22)19-20-18(23)15-4-2-1-3-5-15/h1-5,16,24H,6-14H2
InChIKeyHDRFBERGOMTIKI-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.45
Rot. Bonds5

About 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol

1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol (PubChem CID 111477041) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol
PubChem CID111477041
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol
SMILESOC(CN1CCOCC1)CN1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C18H25N5O2/c24-16(12-21-8-10-25-11-9-21)13-22-6-7-23-17(14-22)19-20-18(23)15-4-2-1-3-5-15/h1-5,16,24H,6-14H2
InChIKeyHDRFBERGOMTIKI-UHFFFAOYSA-N
XLogP0.45
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol (CID 111477041) is 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol is OC(CN1CCOCC1)CN1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol?
The InChIKey is HDRFBERGOMTIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-16(12-21-8-10-25-11-9-21)13-22-6-7-23-17(14-22)19-20-18(23)15-4-2-1-3-5-15/h1-5,16,24H,6-14H2.
What are the key properties of 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol?
1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol has a molecular weight of 343.43 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol is sourced from PubChem (CID 111477041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).