[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine

C14H14N4 — CID 114016678

IUPAC[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(-n2nnc3ccccc32)c(CN)c1
InChIInChI=1S/C14H14N4/c1-10-6-7-13(11(8-10)9-15)18-14-5-3-2-4-12(14)16-17-18/h2-8H,9,15H2,1H3
InChIKeyZXVYUIDQMYEPJC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.19
Rot. Bonds2

About [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine

[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine (PubChem CID 114016678) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
PubChem CID114016678
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(-n2nnc3ccccc32)c(CN)c1
InChIInChI=1S/C14H14N4/c1-10-6-7-13(11(8-10)9-15)18-14-5-3-2-4-12(14)16-17-18/h2-8H,9,15H2,1H3
InChIKeyZXVYUIDQMYEPJC-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(bromomethyl)-4-methylphenyl]benzotriazole
CID 114054750
[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane
CID 170034052
3-(benzotriazol-1-yl)-2,5-dimethylaniline
CID 175638112
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81254005
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
[4-(benzotriazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320862
4-(benzotriazol-1-yl)benzene-1,3-diol
CID 19816499
1-[4-[4-(benzotriazol-1-yl)-2,5-dipropylphenyl]-2,5-dipropylphenyl]benzotriazole
CID 59246688
1-[5-(chloromethyl)-2-methylphenyl]benzotriazole
CID 105405922
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63816562

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine?
The IUPAC name of [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine (CID 114016678) is [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine is Cc1ccc(-n2nnc3ccccc32)c(CN)c1.
What is the InChIKey of [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine?
The InChIKey is ZXVYUIDQMYEPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-6-7-13(11(8-10)9-15)18-14-5-3-2-4-12(14)16-17-18/h2-8H,9,15H2,1H3.
What are the key properties of [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine?
[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-yl)-5-methylphenyl]methanamine is sourced from PubChem (CID 114016678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).