N-methyl-2H-benzotriazol-5-amine

C7H8N4 — CID 23544377

IUPACN-methyl-2H-benzotriazol-5-amine
SMILESCNc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H8N4/c1-8-5-2-3-6-7(4-5)10-11-9-6/h2-4,8H,1H3,(H,9,10,11)
InChIKeySATDYAIFVQXFAU-UHFFFAOYSA-N
MW148.17 g/mol
LogP1.00
Rot. Bonds1

About N-methyl-2H-benzotriazol-5-amine

N-methyl-2H-benzotriazol-5-amine (PubChem CID 23544377) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is N-methyl-2H-benzotriazol-5-amine.

Molecular Properties

Compound NameN-methyl-2H-benzotriazol-5-amine
PubChem CID23544377
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC NameN-methyl-2H-benzotriazol-5-amine
SMILESCNc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H8N4/c1-8-5-2-3-6-7(4-5)10-11-9-6/h2-4,8H,1H3,(H,9,10,11)
InChIKeySATDYAIFVQXFAU-UHFFFAOYSA-N
XLogP1.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2H-benzotriazol-5-amine?
The IUPAC name of N-methyl-2H-benzotriazol-5-amine (CID 23544377) is N-methyl-2H-benzotriazol-5-amine.
What is the SMILES notation for N-methyl-2H-benzotriazol-5-amine?
The canonical SMILES for N-methyl-2H-benzotriazol-5-amine is CNc1ccc2n[nH]nc2c1.
What is the InChIKey of N-methyl-2H-benzotriazol-5-amine?
The InChIKey is SATDYAIFVQXFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-8-5-2-3-6-7(4-5)10-11-9-6/h2-4,8H,1H3,(H,9,10,11).
What are the key properties of N-methyl-2H-benzotriazol-5-amine?
N-methyl-2H-benzotriazol-5-amine has a molecular weight of 148.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2H-benzotriazol-5-amine is sourced from PubChem (CID 23544377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).