4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol

C19H27N7O — CID 118466919

IUPAC4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C19H27N7O/c1-19(2,27)8-9-25-11-15(10-21-25)23-17-18-20-13-22-26(18)12-16(24-17)14-6-4-3-5-7-14/h10-14,27H,3-9H2,1-2H3,(H,23,24)
InChIKeyPOEDKDGIUPHRIH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.27
Rot. Bonds6

About 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol

4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol (PubChem CID 118466919) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol
PubChem CID118466919
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C19H27N7O/c1-19(2,27)8-9-25-11-15(10-21-25)23-17-18-20-13-22-26(18)12-16(24-17)14-6-4-3-5-7-14/h10-14,27H,3-9H2,1-2H3,(H,23,24)
InChIKeyPOEDKDGIUPHRIH-UHFFFAOYSA-N
XLogP3.27
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol (CID 118466919) is 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1.
What is the InChIKey of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is POEDKDGIUPHRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-19(2,27)8-9-25-11-15(10-21-25)23-17-18-20-13-22-26(18)12-16(24-17)14-6-4-3-5-7-14/h10-14,27H,3-9H2,1-2H3,(H,23,24).
What are the key properties of 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol?
4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 369.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 118466919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).