1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine

C12H16N4O — CID 83895262

IUPAC1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine
SMILESCNCc1nnc(OC)n1Cc1ccccc1
InChIInChI=1S/C12H16N4O/c1-13-8-11-14-15-12(17-2)16(11)9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyOROBTBZNAWDCAP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.05
Rot. Bonds5

About 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine

1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine (PubChem CID 83895262) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine
PubChem CID83895262
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine
SMILESCNCc1nnc(OC)n1Cc1ccccc1
InChIInChI=1S/C12H16N4O/c1-13-8-11-14-15-12(17-2)16(11)9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyOROBTBZNAWDCAP-UHFFFAOYSA-N
XLogP1.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-3-methoxy-5-methyl-1,2,4-triazole
CID 155312977
(4-benzyl-5-ethoxy-1,2,4-triazol-3-yl)methanamine
CID 83895252
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
4-benzyl-3-(2-methoxyphenyl)-5-[(2-phenylphenyl)methyl]-1,2,4-triazole
CID 102243934
3-(chloromethyl)-5-methoxy-4-phenyl-1,2,4-triazole
CID 115397353
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
N-[[5-(2-phenylethyl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]formamide
CID 143864394
1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 83880333
N-[(4-benzyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 7095937
N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 42499126
4-benzyl-3-[6-[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]hexyl]-5-(phenoxymethyl)-1,2,4-triazole
CID 11479040

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine (CID 83895262) is 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine is CNCc1nnc(OC)n1Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
The InChIKey is OROBTBZNAWDCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-8-11-14-15-12(17-2)16(11)9-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83895262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).