2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide

C14H15N6O+ — CID 153396446

IUPAC2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide
SMILESNNC(=O)Cc1ccc[n+](Cn2nnc3ccccc32)c1
InChIInChI=1S/C14H14N6O/c15-16-14(21)8-11-4-3-7-19(9-11)10-20-13-6-2-1-5-12(13)17-18-20/h1-7,9H,8,10H2,(H2-,15,16,17,18,21)/p+1
InChIKeyBQPLUUPMDYJHPD-UHFFFAOYSA-O
MW283.32 g/mol
LogP-0.24
Rot. Bonds4

About 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide

2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide (PubChem CID 153396446) has the molecular formula C14H15N6O+ and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide
PubChem CID153396446
Molecular FormulaC14H15N6O+
Molecular Weight283.32 g/mol
Exact Mass283.13
IUPAC Name2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide
SMILESNNC(=O)Cc1ccc[n+](Cn2nnc3ccccc32)c1
InChIInChI=1S/C14H14N6O/c15-16-14(21)8-11-4-3-7-19(9-11)10-20-13-6-2-1-5-12(13)17-18-20/h1-7,9H,8,10H2,(H2-,15,16,17,18,21)/p+1
InChIKeyBQPLUUPMDYJHPD-UHFFFAOYSA-O
XLogP-0.24
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium
CID 3715248
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
1-(benzotriazol-1-ylmethyl)pyridin-1-ium-2-amine
CID 3711305
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
CID 95791798
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
[4-(benzotriazol-1-ylmethyl)phenyl] acetate
CID 89269393

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide?
The IUPAC name of 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide (CID 153396446) is 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide.
What is the SMILES notation for 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide?
The canonical SMILES for 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide is NNC(=O)Cc1ccc[n+](Cn2nnc3ccccc32)c1.
What is the InChIKey of 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide?
The InChIKey is BQPLUUPMDYJHPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N6O/c15-16-14(21)8-11-4-3-7-19(9-11)10-20-13-6-2-1-5-12(13)17-18-20/h1-7,9H,8,10H2,(H2-,15,16,17,18,21)/p+1.
What are the key properties of 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide?
2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide has a molecular weight of 283.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzotriazol-1-ylmethyl)pyridin-1-ium-3-yl]acetohydrazide is sourced from PubChem (CID 153396446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).