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

C13H18N4O — CID 82199485

IUPAC[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
SMILESCCCOc1ccccc1-n1nnc(CN)c1C
InChIInChI=1S/C13H18N4O/c1-3-8-18-13-7-5-4-6-12(13)17-10(2)11(9-14)15-16-17/h4-7H,3,8-9,14H2,1-2H3
InChIKeyWOOCEODOXGIIPL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.82
Rot. Bonds5

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

[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine (PubChem CID 82199485) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
PubChem CID82199485
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
SMILESCCCOc1ccccc1-n1nnc(CN)c1C
InChIInChI=1S/C13H18N4O/c1-3-8-18-13-7-5-4-6-12(13)17-10(2)11(9-14)15-16-17/h4-7H,3,8-9,14H2,1-2H3
InChIKeyWOOCEODOXGIIPL-UHFFFAOYSA-N
XLogP1.82
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-propoxyphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94939085
[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
CID 84760285
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
propan-2-yl 5-amino-1-(2-propoxyphenyl)triazole-4-carboxylate
CID 82199508
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82197503
5-(1,1,2,2,2-pentafluoroethyl)-1-(2-propoxyphenyl)tetrazole
CID 87633879
[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82527967
[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine (CID 82199485) is [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine is CCCOc1ccccc1-n1nnc(CN)c1C.
What is the InChIKey of [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine?
The InChIKey is WOOCEODOXGIIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-8-18-13-7-5-4-6-12(13)17-10(2)11(9-14)15-16-17/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine?
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82199485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).