N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

C15H20N4O2 — CID 22514504

IUPACN-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2)c(=O)c2cccn12
InChIInChI=1S/C15H20N4O2/c1-11-17-19(15(21)13-8-5-9-18(11)13)10-14(20)16-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20)
InChIKeyNLTUYLSDYPAMAU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds3

About N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide

N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514504) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514504
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2)c(=O)c2cccn12
InChIInChI=1S/C15H20N4O2/c1-11-17-19(15(21)13-8-5-9-18(11)13)10-14(20)16-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20)
InChIKeyNLTUYLSDYPAMAU-UHFFFAOYSA-N
XLogP1.25
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514504) is N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is Cc1nn(CC(=O)NC2CCCCC2)c(=O)c2cccn12.
What is the InChIKey of N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is NLTUYLSDYPAMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-17-19(15(21)13-8-5-9-18(11)13)10-14(20)16-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20).
What are the key properties of N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).