4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol

C18H16N6O2 — CID 155573619

IUPAC4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol
SMILESOc1ccc(-n2cc(C(O)c3c(C4CC4)ncc4cncn34)nn2)cc1
InChIInChI=1S/C18H16N6O2/c25-14-5-3-12(4-6-14)24-9-15(21-22-24)18(26)17-16(11-1-2-11)20-8-13-7-19-10-23(13)17/h3-11,18,25-26H,1-2H2
InChIKeyQRAZTRQHJHMNRQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.97
Rot. Bonds4

About 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol

4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol (PubChem CID 155573619) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol
PubChem CID155573619
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol
SMILESOc1ccc(-n2cc(C(O)c3c(C4CC4)ncc4cncn34)nn2)cc1
InChIInChI=1S/C18H16N6O2/c25-14-5-3-12(4-6-14)24-9-15(21-22-24)18(26)17-16(11-1-2-11)20-8-13-7-19-10-23(13)17/h3-11,18,25-26H,1-2H2
InChIKeyQRAZTRQHJHMNRQ-UHFFFAOYSA-N
XLogP1.97
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]-2-fluorophenol
CID 155573612
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621420
2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 142621184
3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol
CID 142621330
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]triazol-4-yl]methanol
CID 142621387
5-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 142621246
1-[2-chloro-4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]-2-methylpropan-2-ol
CID 155315149
[1-(4-bromo-3-chloro-2-pyridinyl)triazol-4-yl]-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol
CID 142621319
pyrazin-2-yl-[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanol
CID 175696394
2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]pyrazol-1-yl]phenyl]acetamide
CID 155315194
(S)-cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134328699
3-[4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]phenol
CID 134381831

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol?
The IUPAC name of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol (CID 155573619) is 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol.
What is the SMILES notation for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol?
The canonical SMILES for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol is Oc1ccc(-n2cc(C(O)c3c(C4CC4)ncc4cncn34)nn2)cc1.
What is the InChIKey of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol?
The InChIKey is QRAZTRQHJHMNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-14-5-3-12(4-6-14)24-9-15(21-22-24)18(26)17-16(11-1-2-11)20-8-13-7-19-10-23(13)17/h3-11,18,25-26H,1-2H2.
What are the key properties of 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol?
4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol has a molecular weight of 348.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-cyclopropylimidazo[1,5-a]pyrazin-5-yl)-hydroxymethyl]triazol-1-yl]phenol is sourced from PubChem (CID 155573619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).