N,N-bis(benzotriazol-1-ylmethyl)aniline

C20H17N7 — CID 3777933

IUPACN,N-bis(benzotriazol-1-ylmethyl)aniline
SMILESc1ccc(N(Cn2nnc3ccccc32)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C20H17N7/c1-2-8-16(9-3-1)25(14-26-19-12-6-4-10-17(19)21-23-26)15-27-20-13-7-5-11-18(20)22-24-27/h1-13H,14-15H2
InChIKeyLRHOBRHDPQSHLN-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.30
Rot. Bonds5

About N,N-bis(benzotriazol-1-ylmethyl)aniline

N,N-bis(benzotriazol-1-ylmethyl)aniline (PubChem CID 3777933) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is N,N-bis(benzotriazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN,N-bis(benzotriazol-1-ylmethyl)aniline
PubChem CID3777933
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC NameN,N-bis(benzotriazol-1-ylmethyl)aniline
SMILESc1ccc(N(Cn2nnc3ccccc32)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C20H17N7/c1-2-8-16(9-3-1)25(14-26-19-12-6-4-10-17(19)21-23-26)15-27-20-13-7-5-11-18(20)22-24-27/h1-13H,14-15H2
InChIKeyLRHOBRHDPQSHLN-UHFFFAOYSA-N
XLogP3.30
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(benzotriazol-1-ylmethyl)aniline?
The IUPAC name of N,N-bis(benzotriazol-1-ylmethyl)aniline (CID 3777933) is N,N-bis(benzotriazol-1-ylmethyl)aniline.
What is the SMILES notation for N,N-bis(benzotriazol-1-ylmethyl)aniline?
The canonical SMILES for N,N-bis(benzotriazol-1-ylmethyl)aniline is c1ccc(N(Cn2nnc3ccccc32)Cn2nnc3ccccc32)cc1.
What is the InChIKey of N,N-bis(benzotriazol-1-ylmethyl)aniline?
The InChIKey is LRHOBRHDPQSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-2-8-16(9-3-1)25(14-26-19-12-6-4-10-17(19)21-23-26)15-27-20-13-7-5-11-18(20)22-24-27/h1-13H,14-15H2.
What are the key properties of N,N-bis(benzotriazol-1-ylmethyl)aniline?
N,N-bis(benzotriazol-1-ylmethyl)aniline has a molecular weight of 355.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(benzotriazol-1-ylmethyl)aniline is sourced from PubChem (CID 3777933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).