[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine

C14H20N4O — CID 82199923

IUPAC[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
SMILESCc1c(CN)nnn1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-10(2)9-19-13-6-4-12(5-7-13)18-11(3)14(8-15)16-17-18/h4-7,10H,8-9,15H2,1-3H3
InChIKeyKWVOFOMUCZRNCV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.07
Rot. Bonds5

About [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine

[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine (PubChem CID 82199923) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
PubChem CID82199923
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
SMILESCc1c(CN)nnn1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20N4O/c1-10(2)9-19-13-6-4-12(5-7-13)18-11(3)14(8-15)16-17-18/h4-7,10H,8-9,15H2,1-3H3
InChIKeyKWVOFOMUCZRNCV-UHFFFAOYSA-N
XLogP2.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82196030
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899
4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline
CID 82195462
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine
CID 82199937
2-[4-[4-(aminomethyl)-5-methyltriazol-1-yl]phenyl]acetic acid
CID 82195554
1-[4-(2-methylpropoxy)phenyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 94940298
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045
5-butyl-1-[4-(2-methylpropoxy)phenyl]triazole-4-carbaldehyde
CID 82199904
3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine
CID 84617695

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine?
The IUPAC name of [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine (CID 82199923) is [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine is Cc1c(CN)nnn1-c1ccc(OCC(C)C)cc1.
What is the InChIKey of [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine?
The InChIKey is KWVOFOMUCZRNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)9-19-13-6-4-12(5-7-13)18-11(3)14(8-15)16-17-18/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine?
[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82199923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).