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

C18H25N7O — CID 118466937

IUPAC1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C18H25N7O/c1-18(2,26)11-24-9-14(8-20-24)22-16-17-19-12-21-25(17)10-15(23-16)13-6-4-3-5-7-13/h8-10,12-13,26H,3-7,11H2,1-2H3,(H,22,23)
InChIKeyBOSMQMHMPKJADY-UHFFFAOYSA-N
MW355.45 g/mol
LogP2.88
Rot. Bonds5

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

1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 118466937) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID118466937
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1
InChIInChI=1S/C18H25N7O/c1-18(2,26)11-24-9-14(8-20-24)22-16-17-19-12-21-25(17)10-15(23-16)13-6-4-3-5-7-13/h8-10,12-13,26H,3-7,11H2,1-2H3,(H,22,23)
InChIKeyBOSMQMHMPKJADY-UHFFFAOYSA-N
XLogP2.88
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol (CID 118466937) is 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(Nc2nc(C3CCCCC3)cn3ncnc23)cn1.
What is the InChIKey of 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is BOSMQMHMPKJADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-18(2,26)11-24-9-14(8-20-24)22-16-17-19-12-21-25(17)10-15(23-16)13-6-4-3-5-7-13/h8-10,12-13,26H,3-7,11H2,1-2H3,(H,22,23).
What are the key properties of 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 355.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-cyclohexyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 118466937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).