2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C14H23N5O — CID 104678296

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESNCC1(CC(=O)N2CCn3cnnc3C2)CCCCC1
InChIInChI=1S/C14H23N5O/c15-10-14(4-2-1-3-5-14)8-13(20)18-6-7-19-11-16-17-12(19)9-18/h11H,1-10,15H2
InChIKeyVCHTXOJIBFOZMQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.92
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 104678296) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID104678296
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESNCC1(CC(=O)N2CCn3cnnc3C2)CCCCC1
InChIInChI=1S/C14H23N5O/c15-10-14(4-2-1-3-5-14)8-13(20)18-6-7-19-11-16-17-12(19)9-18/h11H,1-10,15H2
InChIKeyVCHTXOJIBFOZMQ-UHFFFAOYSA-N
XLogP0.92
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 104678296) is 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is NCC1(CC(=O)N2CCn3cnnc3C2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is VCHTXOJIBFOZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-10-14(4-2-1-3-5-14)8-13(20)18-6-7-19-11-16-17-12(19)9-18/h11H,1-10,15H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 277.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 104678296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).