1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine

C15H15N7 — CID 2831874

IUPAC1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine
SMILESCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21
InChIInChI=1S/C15H15N7/c1-20(10-21-14-8-4-2-6-12(14)16-18-21)11-22-15-9-5-3-7-13(15)17-19-22/h2-9H,10-11H2,1H3
InChIKeyXUPOVPOFMRZGOV-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.72
Rot. Bonds4

About 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine

1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine (PubChem CID 2831874) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine
PubChem CID2831874
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine
SMILESCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21
InChIInChI=1S/C15H15N7/c1-20(10-21-14-8-4-2-6-12(14)16-18-21)11-22-15-9-5-3-7-13(15)17-19-22/h2-9H,10-11H2,1H3
InChIKeyXUPOVPOFMRZGOV-UHFFFAOYSA-N
XLogP1.72
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine (CID 2831874) is 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine is CN(Cn1nnc2ccccc21)Cn1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine?
The InChIKey is XUPOVPOFMRZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7/c1-20(10-21-14-8-4-2-6-12(14)16-18-21)11-22-15-9-5-3-7-13(15)17-19-22/h2-9H,10-11H2,1H3.
What are the key properties of 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine?
1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine has a molecular weight of 293.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-N-(benzotriazol-1-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 2831874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).