N-(benzotriazol-1-ylmethyl)formamide

C8H8N4O — CID 3853648

IUPACN-(benzotriazol-1-ylmethyl)formamide
SMILESO=CNCn1nnc2ccccc21
InChIInChI=1S/C8H8N4O/c13-6-9-5-12-8-4-2-1-3-7(8)10-11-12/h1-4,6H,5H2,(H,9,13)
InChIKeyAUDGAMZNNDGYAX-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.13
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)formamide

N-(benzotriazol-1-ylmethyl)formamide (PubChem CID 3853648) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)formamide.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)formamide
PubChem CID3853648
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-(benzotriazol-1-ylmethyl)formamide
SMILESO=CNCn1nnc2ccccc21
InChIInChI=1S/C8H8N4O/c13-6-9-5-12-8-4-2-1-3-7(8)10-11-12/h1-4,6H,5H2,(H,9,13)
InChIKeyAUDGAMZNNDGYAX-UHFFFAOYSA-N
XLogP0.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(benzotriazol-1-ylmethyl)formamide 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

(1H-1,2,3-Benzotriazol-1-ylmethyl)dimethylamine
CID 825297
1-(Methoxymethyl)-1H-benzotriazole
CID 542390
N-hexylbenzotriazole-1-carboxamide
CID 58271110
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
1-(Pyrrolidin-1-ylmethyl)benzotriazole
CID 29502
1H-Benzotriazole-1-carboxaldehyde
CID 576740
1-(Isocyanomethyl)-1H-benzotriazole
CID 3832111
1-(1-piperidinylcarbonyl)-1H-benzotriazole
CID 735661
N-methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carboxamide
CID 887067
1-[(Phenylamino)methyl]benzotriazole
CID 569724
Benzotriazole-1-carboxamide
CID 3773043
N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline
CID 670670

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)formamide?
The IUPAC name of N-(benzotriazol-1-ylmethyl)formamide (CID 3853648) is N-(benzotriazol-1-ylmethyl)formamide.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)formamide?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)formamide is O=CNCn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)formamide?
The InChIKey is AUDGAMZNNDGYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-6-9-5-12-8-4-2-1-3-7(8)10-11-12/h1-4,6H,5H2,(H,9,13).
What are the key properties of N-(benzotriazol-1-ylmethyl)formamide?
N-(benzotriazol-1-ylmethyl)formamide has a molecular weight of 176.18 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)formamide is sourced from PubChem (CID 3853648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).