1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine

C12H16N4O — CID 79501179

IUPAC1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
SMILESCOc1cccc(-n2nnc(N)c2C(C)C)c1
InChIInChI=1S/C12H16N4O/c1-8(2)11-12(13)14-15-16(11)9-5-4-6-10(7-9)17-3/h4-8H,13H2,1-3H3
InChIKeyNKIXDESURMQSEG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.98
Rot. Bonds3

About 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine

1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine (PubChem CID 79501179) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
PubChem CID79501179
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
SMILESCOc1cccc(-n2nnc(N)c2C(C)C)c1
InChIInChI=1S/C12H16N4O/c1-8(2)11-12(13)14-15-16(11)9-5-4-6-10(7-9)17-3/h4-8H,13H2,1-3H3
InChIKeyNKIXDESURMQSEG-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
3-(3-methoxyphenyl)-5-thiophen-2-yltriazol-4-amine
CID 82370290
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
5-(3-methoxyphenyl)-3-phenyltriazol-4-amine
CID 14612161
5-(3,4-difluorophenyl)-3-(3-methoxyphenyl)triazol-4-amine
CID 82370298
1-(3-methoxyphenyl)triazolo[4,5-c]pyridine
CID 117159499
6-(3-methoxyphenyl)-4-propan-2-yl-2H-pyrazolo[3,4-c]pyrazol-3-amine
CID 137012728
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine
CID 79508943
4-amino-1-ethyl-2-(3-methoxyphenyl)-5-propan-2-ylpyrazol-3-one
CID 114798589
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94937701

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine (CID 79501179) is 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine is COc1cccc(-n2nnc(N)c2C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine?
The InChIKey is NKIXDESURMQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)11-12(13)14-15-16(11)9-5-4-6-10(7-9)17-3/h4-8H,13H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine?
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79501179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).