[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine

C11H14N4O — CID 65338671

IUPAC[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(Cn2cncn2)cc1CN
InChIInChI=1S/C11H14N4O/c1-16-11-3-2-9(4-10(11)5-12)6-15-8-13-7-14-15/h2-4,7-8H,5-6,12H2,1H3
InChIKeyOIUAZYUDMIDNAP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds4

About [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine

[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine (PubChem CID 65338671) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
PubChem CID65338671
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1ccc(Cn2cncn2)cc1CN
InChIInChI=1S/C11H14N4O/c1-16-11-3-2-9(4-10(11)5-12)6-15-8-13-7-14-15/h2-4,7-8H,5-6,12H2,1H3
InChIKeyOIUAZYUDMIDNAP-UHFFFAOYSA-N
XLogP0.79
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]propan-1-amine
CID 170867990
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56887902
1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidin-4-ylpiperidine
CID 146040890
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 91796661
(E)-3-[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 109375495
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
N-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91769308
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 131909526

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine (CID 65338671) is [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine is COc1ccc(Cn2cncn2)cc1CN.
What is the InChIKey of [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is OIUAZYUDMIDNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-11-3-2-9(4-10(11)5-12)6-15-8-13-7-14-15/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine?
[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 65338671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).