N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C14H19N5O2 — CID 139000242

IUPACN-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1
InChIInChI=1S/C14H19N5O2/c1-10-2-4-11(5-3-10)17-13(20)8-18-14(21)12-6-7-15-19(12)9-16-18/h6-7,9-11H,2-5,8H2,1H3,(H,17,20)
InChIKeyCIBMSKNTUSAJGN-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.59
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 139000242) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID139000242
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1
InChIInChI=1S/C14H19N5O2/c1-10-2-4-11(5-3-10)17-13(20)8-18-14(21)12-6-7-15-19(12)9-16-18/h6-7,9-11H,2-5,8H2,1H3,(H,17,20)
InChIKeyCIBMSKNTUSAJGN-UHFFFAOYSA-N
XLogP0.59
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 139000242) is N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is CC1CCC(NC(=O)Cn2ncn3nccc3c2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is CIBMSKNTUSAJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-2-4-11(5-3-10)17-13(20)8-18-14(21)12-6-7-15-19(12)9-16-18/h6-7,9-11H,2-5,8H2,1H3,(H,17,20).
What are the key properties of N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 139000242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).