5-methyl-1-quinolin-8-yltriazol-4-amine

C12H11N5 — CID 79502676

IUPAC5-methyl-1-quinolin-8-yltriazol-4-amine
SMILESCc1c(N)nnn1-c1cccc2cccnc12
InChIInChI=1S/C12H11N5/c1-8-12(13)15-16-17(8)10-6-2-4-9-5-3-7-14-11(9)10/h2-7H,13H2,1H3
InChIKeyRGPRRZXEDVQJBZ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.71
Rot. Bonds1

About 5-methyl-1-quinolin-8-yltriazol-4-amine

5-methyl-1-quinolin-8-yltriazol-4-amine (PubChem CID 79502676) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-methyl-1-quinolin-8-yltriazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-quinolin-8-yltriazol-4-amine
PubChem CID79502676
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name5-methyl-1-quinolin-8-yltriazol-4-amine
SMILESCc1c(N)nnn1-c1cccc2cccnc12
InChIInChI=1S/C12H11N5/c1-8-12(13)15-16-17(8)10-6-2-4-9-5-3-7-14-11(9)10/h2-7H,13H2,1H3
InChIKeyRGPRRZXEDVQJBZ-UHFFFAOYSA-N
XLogP1.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-quinolin-8-yltriazol-4-amine?
The IUPAC name of 5-methyl-1-quinolin-8-yltriazol-4-amine (CID 79502676) is 5-methyl-1-quinolin-8-yltriazol-4-amine.
What is the SMILES notation for 5-methyl-1-quinolin-8-yltriazol-4-amine?
The canonical SMILES for 5-methyl-1-quinolin-8-yltriazol-4-amine is Cc1c(N)nnn1-c1cccc2cccnc12.
What is the InChIKey of 5-methyl-1-quinolin-8-yltriazol-4-amine?
The InChIKey is RGPRRZXEDVQJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-12(13)15-16-17(8)10-6-2-4-9-5-3-7-14-11(9)10/h2-7H,13H2,1H3.
What are the key properties of 5-methyl-1-quinolin-8-yltriazol-4-amine?
5-methyl-1-quinolin-8-yltriazol-4-amine has a molecular weight of 225.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-quinolin-8-yltriazol-4-amine is sourced from PubChem (CID 79502676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).