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

C10H17N5O2 — CID 66271703

IUPACN-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide
SMILESCNC(=O)CCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C10H17N5O2/c1-11-9(16)3-2-5-15-10(17)14-6-4-12-7-8(14)13-15/h12H,2-7H2,1H3,(H,11,16)
InChIKeyRWWAOCQDDODGJJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.33
Rot. Bonds4

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

N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide (PubChem CID 66271703) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide
PubChem CID66271703
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide
SMILESCNC(=O)CCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C10H17N5O2/c1-11-9(16)3-2-5-15-10(17)14-6-4-12-7-8(14)13-15/h12H,2-7H2,1H3,(H,11,16)
InChIKeyRWWAOCQDDODGJJ-UHFFFAOYSA-N
XLogP-1.33
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide?
The IUPAC name of N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide (CID 66271703) is N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide.
What is the SMILES notation for N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide?
The canonical SMILES for N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide is CNC(=O)CCCn1nc2n(c1=O)CCNC2.
What is the InChIKey of N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide?
The InChIKey is RWWAOCQDDODGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-11-9(16)3-2-5-15-10(17)14-6-4-12-7-8(14)13-15/h12H,2-7H2,1H3,(H,11,16).
What are the key properties of N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide?
N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide has a molecular weight of 239.28 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)butanamide is sourced from PubChem (CID 66271703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).