2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C14H21N5O — CID 66272627

IUPAC2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC1CCCCC1NCCn1nc2cnccn2c1=O
InChIInChI=1S/C14H21N5O/c1-11-4-2-3-5-12(11)16-7-9-19-14(20)18-8-6-15-10-13(18)17-19/h6,8,10-12,16H,2-5,7,9H2,1H3
InChIKeyJBOIDXGATHVBDX-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.06
Rot. Bonds4

About 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272627) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272627
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC1CCCCC1NCCn1nc2cnccn2c1=O
InChIInChI=1S/C14H21N5O/c1-11-4-2-3-5-12(11)16-7-9-19-14(20)18-8-6-15-10-13(18)17-19/h6,8,10-12,16H,2-5,7,9H2,1H3
InChIKeyJBOIDXGATHVBDX-UHFFFAOYSA-N
XLogP1.06
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272627) is 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC1CCCCC1NCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is JBOIDXGATHVBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-4-2-3-5-12(11)16-7-9-19-14(20)18-8-6-15-10-13(18)17-19/h6,8,10-12,16H,2-5,7,9H2,1H3.
What are the key properties of 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 275.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).