1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine

C24H24N10 — CID 4311938

IUPAC1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine
SMILESCc1ccc2c(c1)nnn2CN(Cn1nnc2cc(C)ccc21)Cn1nnc2cc(C)ccc21
InChIInChI=1S/C24H24N10/c1-16-4-7-22-19(10-16)25-28-32(22)13-31(14-33-23-8-5-17(2)11-20(23)26-29-33)15-34-24-9-6-18(3)12-21(24)27-30-34/h4-12H,13-15H2,1-3H3
InChIKeyDMHUKIWXJUKYBF-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.42
Rot. Bonds6

About 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine

1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine (PubChem CID 4311938) has the molecular formula C24H24N10 and a molecular weight of 452.53 g/mol. Its IUPAC name is 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine
PubChem CID4311938
Molecular FormulaC24H24N10
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine
SMILESCc1ccc2c(c1)nnn2CN(Cn1nnc2cc(C)ccc21)Cn1nnc2cc(C)ccc21
InChIInChI=1S/C24H24N10/c1-16-4-7-22-19(10-16)25-28-32(22)13-31(14-33-23-8-5-17(2)11-20(23)26-29-33)15-34-24-9-6-18(3)12-21(24)27-30-34/h4-12H,13-15H2,1-3H3
InChIKeyDMHUKIWXJUKYBF-UHFFFAOYSA-N
XLogP3.42
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[2-hydroxyethyl-[(4-methylbenzotriazol-1-yl)methyl]amino]ethanol;2-[2-hydroxyethyl-[(5-methylbenzotriazol-1-yl)methyl]amino]ethanol
CID 162028303
ethyl 2-(5-methylbenzotriazol-1-yl)acetate
CID 71658803
N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine
CID 828169
1-butan-2-yl-5-methylbenzotriazole
CID 134239580
2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 157371525
N-[(5-nitrobenzotriazol-1-yl)methyl]-N-octyloctan-1-amine
CID 134294811
N-[[1-[(dioctylamino)methyl]triazolo[4,5-f]benzotriazol-7-yl]methyl]-N-octyloctan-1-amine
CID 3491593
(5-methylbenzotriazol-1-yl) N,N-dimethylsulfamate
CID 95563996
1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
CID 101452435
1-(chloromethyl)benzotriazol-5-amine
CID 134294828
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111478

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine?
The IUPAC name of 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine (CID 4311938) is 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine is Cc1ccc2c(c1)nnn2CN(Cn1nnc2cc(C)ccc21)Cn1nnc2cc(C)ccc21.
What is the InChIKey of 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine?
The InChIKey is DMHUKIWXJUKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10/c1-16-4-7-22-19(10-16)25-28-32(22)13-31(14-33-23-8-5-17(2)11-20(23)26-29-33)15-34-24-9-6-18(3)12-21(24)27-30-34/h4-12H,13-15H2,1-3H3.
What are the key properties of 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine?
1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine has a molecular weight of 452.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine is sourced from PubChem (CID 4311938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).