1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide

C13H23N7O — CID 79920562

IUPAC1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCN2CCN3CCCCC3C2)nn1
InChIInChI=1S/C13H23N7O/c14-15-13(21)12-10-20(17-16-12)8-6-18-5-7-19-4-2-1-3-11(19)9-18/h10-11H,1-9,14H2,(H,15,21)
InChIKeyVWTNQBCFFSKXSS-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.95
Rot. Bonds4

About 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide

1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 79920562) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
PubChem CID79920562
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(CCN2CCN3CCCCC3C2)nn1
InChIInChI=1S/C13H23N7O/c14-15-13(21)12-10-20(17-16-12)8-6-18-5-7-19-4-2-1-3-11(19)9-18/h10-11H,1-9,14H2,(H,15,21)
InChIKeyVWTNQBCFFSKXSS-UHFFFAOYSA-N
XLogP-0.95
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 55214791
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
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1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
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1-(2-cyclohexylsulfanylethyl)triazole-4-carbohydrazide
CID 63580319
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63579377
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946
1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide (CID 79920562) is 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(CCN2CCN3CCCCC3C2)nn1.
What is the InChIKey of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is VWTNQBCFFSKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c14-15-13(21)12-10-20(17-16-12)8-6-18-5-7-19-4-2-1-3-11(19)9-18/h10-11H,1-9,14H2,(H,15,21).
What are the key properties of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 293.38 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 79920562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).