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

C14H15N3OS — CID 63026272

IUPAC3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1CN1CCn2ccnc2C1
InChIInChI=1S/C14H15N3OS/c18-8-1-2-12-3-9-19-13(12)10-16-6-7-17-5-4-15-14(17)11-16/h3-5,9,18H,6-8,10-11H2
InChIKeyHASIFSRJZYFODE-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.30
Rot. Bonds2

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

3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 63026272) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
PubChem CID63026272
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1CN1CCn2ccnc2C1
InChIInChI=1S/C14H15N3OS/c18-8-1-2-12-3-9-19-13(12)10-16-6-7-17-5-4-15-14(17)11-16/h3-5,9,18H,6-8,10-11H2
InChIKeyHASIFSRJZYFODE-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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Related Compounds

6,7-Dihydrothieno[3,2-C]pyridin-5(4h)-Yl(1h-Imidazol-1-Yl)methanone
CID 40126930
(2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine
CID 46986746
1-({5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-thienyl}methyl)piperidine
CID 56745556
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 50953248
3-{5-[1-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]-2-thienyl}prop-2-yn-1-ol
CID 56740108
3-[5-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-3-thienyl]prop-2-yn-1-ol
CID 131891412
2-(3-Methylthiophen-2-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylamino)ethanol
CID 136551324
2-[4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45597729
1-[(1-Methylimidazol-2-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 46954122
3-{5-[1-(2-phenylethyl)-1H-imidazol-2-yl]-3-thienyl}prop-2-yn-1-ol
CID 56744324
3-[5-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylmethyl)-3-thienyl]prop-2-yn-1-ol
CID 56901279

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol (CID 63026272) is 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1ccsc1CN1CCn2ccnc2C1.
What is the InChIKey of 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is HASIFSRJZYFODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-8-1-2-12-3-9-19-13(12)10-16-6-7-17-5-4-15-14(17)11-16/h3-5,9,18H,6-8,10-11H2.
What are the key properties of 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol?
3-[2-(6,8-dihydro-5H-imidazo[1,2-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-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 63026272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).