N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C10H17N5O2 — CID 86807581

IUPACN-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCCCCNC(=O)N1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C10H17N5O2/c1-2-3-4-11-9(16)14-5-6-15-8(7-14)12-13-10(15)17/h2-7H2,1H3,(H,11,16)(H,13,17)
InChIKeyYHYOHIWHXDQHTJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.10
Rot. Bonds3

About N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 86807581) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID86807581
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCCCCNC(=O)N1CCn2c(n[nH]c2=O)C1
InChIInChI=1S/C10H17N5O2/c1-2-3-4-11-9(16)14-5-6-15-8(7-14)12-13-10(15)17/h2-7H2,1H3,(H,11,16)(H,13,17)
InChIKeyYHYOHIWHXDQHTJ-UHFFFAOYSA-N
XLogP-0.10
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 86807581) is N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CCCCNC(=O)N1CCn2c(n[nH]c2=O)C1.
What is the InChIKey of N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is YHYOHIWHXDQHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-3-4-11-9(16)14-5-6-15-8(7-14)12-13-10(15)17/h2-7H2,1H3,(H,11,16)(H,13,17).
What are the key properties of N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 86807581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).