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

C11H18N6O2 — CID 135077580

IUPAC1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C11H18N6O2/c1-2-10(18)16-5-3-8(4-6-16)17-7-9(14-15-17)11(19)13-12/h7-8H,2-6,12H2,1H3,(H,13,19)
InChIKeyMLZVDPYGHZNZJO-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.54
Rot. Bonds3

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

1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide (PubChem CID 135077580) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide
PubChem CID135077580
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide
SMILESCCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1
InChIInChI=1S/C11H18N6O2/c1-2-10(18)16-5-3-8(4-6-16)17-7-9(14-15-17)11(19)13-12/h7-8H,2-6,12H2,1H3,(H,13,19)
InChIKeyMLZVDPYGHZNZJO-UHFFFAOYSA-N
XLogP-0.54
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.54
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-propanoylpiperidin-4-yl)triazole-4-carbohydrazide?
The IUPAC name of 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide (CID 135077580) is 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide is CCC(=O)N1CCC(n2cc(C(=O)NN)nn2)CC1.
What is the InChIKey of 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide?
The InChIKey is MLZVDPYGHZNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-2-10(18)16-5-3-8(4-6-16)17-7-9(14-15-17)11(19)13-12/h7-8H,2-6,12H2,1H3,(H,13,19).
What are the key properties of 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide?
1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide has a molecular weight of 266.30 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propanoylpiperidin-4-yl)triazole-4-carbohydrazide is sourced from PubChem (CID 135077580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).