2-(benzotriazol-1-yl)-3-methoxypropanehydrazide

C10H13N5O2 — CID 103229848

IUPAC2-(benzotriazol-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)n1nnc2ccccc21
InChIInChI=1S/C10H13N5O2/c1-17-6-9(10(16)12-11)15-8-5-3-2-4-7(8)13-14-15/h2-5,9H,6,11H2,1H3,(H,12,16)
InChIKeyPNMGONXUZVFOST-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.39
Rot. Bonds4

About 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide

2-(benzotriazol-1-yl)-3-methoxypropanehydrazide (PubChem CID 103229848) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-3-methoxypropanehydrazide
PubChem CID103229848
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-(benzotriazol-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)n1nnc2ccccc21
InChIInChI=1S/C10H13N5O2/c1-17-6-9(10(16)12-11)15-8-5-3-2-4-7(8)13-14-15/h2-5,9H,6,11H2,1H3,(H,12,16)
InChIKeyPNMGONXUZVFOST-UHFFFAOYSA-N
XLogP-0.39
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.39
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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Related Compounds

2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methoxypropanehydrazide
CID 103229872
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
CID 75357570
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
2-(benzotriazol-1-yl)-3-methylbutanamide
CID 46840686
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
methyl (2E)-3-(benzotriazol-1-yl)-2-hydroxyiminobutanoate
CID 177399100
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide
CID 103229889
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide?
The IUPAC name of 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide (CID 103229848) is 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide is COCC(C(=O)NN)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide?
The InChIKey is PNMGONXUZVFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-17-6-9(10(16)12-11)15-8-5-3-2-4-7(8)13-14-15/h2-5,9H,6,11H2,1H3,(H,12,16).
What are the key properties of 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide?
2-(benzotriazol-1-yl)-3-methoxypropanehydrazide has a molecular weight of 235.25 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).