1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine

C14H15N5 — CID 55097451

IUPAC1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine
SMILESCc1c(C(C)N)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C14H15N5/c1-9(15)14-10(2)19(18-17-14)12-5-6-13-11(8-12)4-3-7-16-13/h3-9H,15H2,1-2H3
InChIKeyDGVUTOBZRVRMNG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.14
Rot. Bonds2

About 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine

1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine (PubChem CID 55097451) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine
PubChem CID55097451
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine
SMILESCc1c(C(C)N)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C14H15N5/c1-9(15)14-10(2)19(18-17-14)12-5-6-13-11(8-12)4-3-7-16-13/h3-9H,15H2,1-2H3
InChIKeyDGVUTOBZRVRMNG-UHFFFAOYSA-N
XLogP2.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine (CID 55097451) is 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine is Cc1c(C(C)N)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine?
The InChIKey is DGVUTOBZRVRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9(15)14-10(2)19(18-17-14)12-5-6-13-11(8-12)4-3-7-16-13/h3-9H,15H2,1-2H3.
What are the key properties of 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine?
1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-quinolin-6-yltriazol-4-yl)ethanamine is sourced from PubChem (CID 55097451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).