1-piperidin-4-yltriazole-4-carbohydrazide

C8H14N6O — CID 63992985

IUPAC1-piperidin-4-yltriazole-4-carbohydrazide
SMILESNNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C8H14N6O/c9-11-8(15)7-5-14(13-12-7)6-1-3-10-4-2-6/h5-6,10H,1-4,9H2,(H,11,15)
InChIKeyNSGXUKZHEAQQBJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.19
Rot. Bonds2

About 1-piperidin-4-yltriazole-4-carbohydrazide

1-piperidin-4-yltriazole-4-carbohydrazide (PubChem CID 63992985) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-piperidin-4-yltriazole-4-carbohydrazide.

Molecular Properties

Compound Name1-piperidin-4-yltriazole-4-carbohydrazide
PubChem CID63992985
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-piperidin-4-yltriazole-4-carbohydrazide
SMILESNNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C8H14N6O/c9-11-8(15)7-5-14(13-12-7)6-1-3-10-4-2-6/h5-6,10H,1-4,9H2,(H,11,15)
InChIKeyNSGXUKZHEAQQBJ-UHFFFAOYSA-N
XLogP-1.19
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yltriazole-4-carbohydrazide?
The IUPAC name of 1-piperidin-4-yltriazole-4-carbohydrazide (CID 63992985) is 1-piperidin-4-yltriazole-4-carbohydrazide.
What is the SMILES notation for 1-piperidin-4-yltriazole-4-carbohydrazide?
The canonical SMILES for 1-piperidin-4-yltriazole-4-carbohydrazide is NNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yltriazole-4-carbohydrazide?
The InChIKey is NSGXUKZHEAQQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c9-11-8(15)7-5-14(13-12-7)6-1-3-10-4-2-6/h5-6,10H,1-4,9H2,(H,11,15).
What are the key properties of 1-piperidin-4-yltriazole-4-carbohydrazide?
1-piperidin-4-yltriazole-4-carbohydrazide has a molecular weight of 210.24 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yltriazole-4-carbohydrazide is sourced from PubChem (CID 63992985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).