1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide

C10H18N6O — CID 135077380

IUPAC1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCCN1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C10H18N6O/c1-2-15-5-3-8(4-6-15)16-7-9(13-14-16)10(17)12-11/h7-8H,2-6,11H2,1H3,(H,12,17)
InChIKeyPZRADHRAJXLZRW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.46
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide

1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide (PubChem CID 135077380) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide
PubChem CID135077380
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCCN1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C10H18N6O/c1-2-15-5-3-8(4-6-15)16-7-9(13-14-16)10(17)12-11/h7-8H,2-6,11H2,1H3,(H,12,17)
InChIKeyPZRADHRAJXLZRW-UHFFFAOYSA-N
XLogP-0.46
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide (CID 135077380) is 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide is CCN1CCC(n2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide?
The InChIKey is PZRADHRAJXLZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-2-15-5-3-8(4-6-15)16-7-9(13-14-16)10(17)12-11/h7-8H,2-6,11H2,1H3,(H,12,17).
What are the key properties of 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide?
1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)triazole-4-carbohydrazide is sourced from PubChem (CID 135077380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).