1-(benzotriazol-1-yl)-N-methoxymethanamine

C8H10N4O — CID 130251887

IUPAC1-(benzotriazol-1-yl)-N-methoxymethanamine
SMILESCONCn1nnc2ccccc21
InChIInChI=1S/C8H10N4O/c1-13-9-6-12-8-5-3-2-4-7(8)10-11-12/h2-5,9H,6H2,1H3
InChIKeyRUYAUOONHJZSLU-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.54
Rot. Bonds3

About 1-(benzotriazol-1-yl)-N-methoxymethanamine

1-(benzotriazol-1-yl)-N-methoxymethanamine (PubChem CID 130251887) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-N-methoxymethanamine
PubChem CID130251887
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-(benzotriazol-1-yl)-N-methoxymethanamine
SMILESCONCn1nnc2ccccc21
InChIInChI=1S/C8H10N4O/c1-13-9-6-12-8-5-3-2-4-7(8)10-11-12/h2-5,9H,6H2,1H3
InChIKeyRUYAUOONHJZSLU-UHFFFAOYSA-N
XLogP0.54
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(benzotriazol-1-yl)-N-methoxymethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
CID 1240078
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
1-(2-methoxy-2-phenylethyl)benzotriazole
CID 3740185
methyl 4-(benzotriazol-1-yl)-2,2-dimethyl-3-oxobutanoate
CID 112752297
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine
CID 170856759
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622
N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline
CID 683943
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
3-(benzotriazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62563385

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-N-methoxymethanamine?
The IUPAC name of 1-(benzotriazol-1-yl)-N-methoxymethanamine (CID 130251887) is 1-(benzotriazol-1-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(benzotriazol-1-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(benzotriazol-1-yl)-N-methoxymethanamine is CONCn1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-N-methoxymethanamine?
The InChIKey is RUYAUOONHJZSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-13-9-6-12-8-5-3-2-4-7(8)10-11-12/h2-5,9H,6H2,1H3.
What are the key properties of 1-(benzotriazol-1-yl)-N-methoxymethanamine?
1-(benzotriazol-1-yl)-N-methoxymethanamine has a molecular weight of 178.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-N-methoxymethanamine is sourced from PubChem (CID 130251887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).