N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

C13H21N5O2 — CID 66271488

IUPACN-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCNC2)NC1CCCCC1
InChIInChI=1S/C13H21N5O2/c19-12(15-10-4-2-1-3-5-10)9-18-13(20)17-7-6-14-8-11(17)16-18/h10,14H,1-9H2,(H,15,19)
InChIKeyHEGQFZRDTJQXRA-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.40
Rot. Bonds3

About N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (PubChem CID 66271488) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
PubChem CID66271488
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCNC2)NC1CCCCC1
InChIInChI=1S/C13H21N5O2/c19-12(15-10-4-2-1-3-5-10)9-18-13(20)17-7-6-14-8-11(17)16-18/h10,14H,1-9H2,(H,15,19)
InChIKeyHEGQFZRDTJQXRA-UHFFFAOYSA-N
XLogP-0.40
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (CID 66271488) is N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is O=C(Cn1nc2n(c1=O)CCNC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The InChIKey is HEGQFZRDTJQXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-12(15-10-4-2-1-3-5-10)9-18-13(20)17-7-6-14-8-11(17)16-18/h10,14H,1-9H2,(H,15,19).
What are the key properties of N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 66271488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).