5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine

C12H16N4O — CID 105491202

IUPAC5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine
SMILESCOc1ccc(-c2nnn(C(C)C)c2N)cc1
InChIInChI=1S/C12H16N4O/c1-8(2)16-12(13)11(14-15-16)9-4-6-10(17-3)7-5-9/h4-8H,13H2,1-3H3
InChIKeyQYOZGVFUTGQUNA-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.12
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine

5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine (PubChem CID 105491202) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine
PubChem CID105491202
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine
SMILESCOc1ccc(-c2nnn(C(C)C)c2N)cc1
InChIInChI=1S/C12H16N4O/c1-8(2)16-12(13)11(14-15-16)9-4-6-10(17-3)7-5-9/h4-8H,13H2,1-3H3
InChIKeyQYOZGVFUTGQUNA-UHFFFAOYSA-N
XLogP2.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine
CID 105470234
5-(4-methoxyphenyl)-3-methyltriazol-4-amine
CID 83638320
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82370611
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
2-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]-4-methylphenol
CID 82370532
6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
5-chloro-4-(4-methoxyphenyl)-2-methyl-1-propan-2-ylimidazole
CID 54388388
3-[5-amino-4-(4-methoxyphenyl)triazol-1-yl]benzonitrile
CID 82370354
3-[2-chloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)triazol-4-amine
CID 25154238
4,5-bis(4-methoxyphenyl)-1-propan-2-ylimidazole
CID 14278147
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
3-(4-methoxyphenyl)triazolo[1,5-a]pyridine
CID 12752363

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine (CID 105491202) is 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine is COc1ccc(-c2nnn(C(C)C)c2N)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine?
The InChIKey is QYOZGVFUTGQUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)16-12(13)11(14-15-16)9-4-6-10(17-3)7-5-9/h4-8H,13H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine?
5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine has a molecular weight of 232.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-propan-2-yltriazol-4-amine is sourced from PubChem (CID 105491202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).