3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol

C14H15N3OS — CID 56901279

IUPAC3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN2CCn3cncc3C2)c1
InChIInChI=1S/C14H15N3OS/c18-5-1-2-12-6-14(19-10-12)9-16-3-4-17-11-15-7-13(17)8-16/h6-7,10-11,18H,3-5,8-9H2
InChIKeyHUADPWNIXPNJFN-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.30
Rot. Bonds2

About 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol

3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 56901279) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
PubChem CID56901279
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(CN2CCn3cncc3C2)c1
InChIInChI=1S/C14H15N3OS/c18-5-1-2-12-6-14(19-10-12)9-16-3-4-17-11-15-7-13(17)8-16/h6-7,10-11,18H,3-5,8-9H2
InChIKeyHUADPWNIXPNJFN-UHFFFAOYSA-N
XLogP1.30
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol (CID 56901279) is 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1csc(CN2CCn3cncc3C2)c1.
What is the InChIKey of 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is HUADPWNIXPNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-5-1-2-12-6-14(19-10-12)9-16-3-4-17-11-15-7-13(17)8-16/h6-7,10-11,18H,3-5,8-9H2.
What are the key properties of 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 273.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 56901279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).