4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine

C10H9N7O — CID 80854027

IUPAC4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C10H9N7O/c1-18-10-13-8(11)12-9(14-10)17-7-5-3-2-4-6(7)15-16-17/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyDVOZPBHPWSUUNA-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.20
Rot. Bonds2

About 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine

4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80854027) has the molecular formula C10H9N7O and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80854027
Molecular FormulaC10H9N7O
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-n2nnc3ccccc32)n1
InChIInChI=1S/C10H9N7O/c1-18-10-13-8(11)12-9(14-10)17-7-5-3-2-4-6(7)15-16-17/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyDVOZPBHPWSUUNA-UHFFFAOYSA-N
XLogP0.20
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine 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

4-(benzotriazol-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80853407
[4-(benzotriazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901279
1-(2-methoxyphenyl)benzotriazole
CID 53415460
4,6-bis(benzotriazol-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 1014695
4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325
1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 175194463
4-methoxy-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80869201
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80840784
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
[5-(benzotriazol-1-yl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-(4-methoxyphenyl)diazene
CID 3769111
methane;1-methoxybenzotriazole
CID 161160564

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 80854027) is 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(-n2nnc3ccccc32)n1.
What is the InChIKey of 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is DVOZPBHPWSUUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O/c1-18-10-13-8(11)12-9(14-10)17-7-5-3-2-4-6(7)15-16-17/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 243.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80854027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).