1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide

C11H20N6O2 — CID 63583913

IUPAC1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
SMILESCC1CN(CCn2cc(C(=O)NN)nn2)CCCO1
InChIInChI=1S/C11H20N6O2/c1-9-7-16(3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h8-9H,2-7,12H2,1H3,(H,13,18)
InChIKeyYZVSQGJMGUENPP-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.01
Rot. Bonds4

About 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide

1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 63583913) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
PubChem CID63583913
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide
SMILESCC1CN(CCn2cc(C(=O)NN)nn2)CCCO1
InChIInChI=1S/C11H20N6O2/c1-9-7-16(3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h8-9H,2-7,12H2,1H3,(H,13,18)
InChIKeyYZVSQGJMGUENPP-UHFFFAOYSA-N
XLogP-1.01
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.01
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

1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963
2-[1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]piperidin-4-yl]acetamide
CID 63579535
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]triazole-4-carbohydrazide
CID 65322216
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63572290
1-[2-(4-ethoxypiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63573572
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583172
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63585470
1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 63608693
1-[2-[4-(hydrazinecarbonyl)triazol-1-yl]ethyl]-N-methylpyrrolidine-2-carboxamide
CID 63578946
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazole-4-carboxylic acid
CID 43544795
[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
CID 167907415

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide (CID 63583913) is 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide is CC1CN(CCn2cc(C(=O)NN)nn2)CCCO1.
What is the InChIKey of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is YZVSQGJMGUENPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-9-7-16(3-2-6-19-9)4-5-17-8-10(14-15-17)11(18)13-12/h8-9H,2-7,12H2,1H3,(H,13,18).
What are the key properties of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 268.32 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63583913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).