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

C14H15N5 — CID 79502823

IUPAC5-propyl-1-quinolin-8-yltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cccc2cccnc12
InChIInChI=1S/C14H15N5/c1-2-5-12-14(15)17-18-19(12)11-8-3-6-10-7-4-9-16-13(10)11/h3-4,6-9H,2,5,15H2,1H3
InChIKeyWHSZGAQXKCHODG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.35
Rot. Bonds3

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

5-propyl-1-quinolin-8-yltriazol-4-amine (PubChem CID 79502823) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-propyl-1-quinolin-8-yltriazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-quinolin-8-yltriazol-4-amine
PubChem CID79502823
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5-propyl-1-quinolin-8-yltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cccc2cccnc12
InChIInChI=1S/C14H15N5/c1-2-5-12-14(15)17-18-19(12)11-8-3-6-10-7-4-9-16-13(10)11/h3-4,6-9H,2,5,15H2,1H3
InChIKeyWHSZGAQXKCHODG-UHFFFAOYSA-N
XLogP2.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-quinolin-8-yltriazol-4-amine?
The IUPAC name of 5-propyl-1-quinolin-8-yltriazol-4-amine (CID 79502823) is 5-propyl-1-quinolin-8-yltriazol-4-amine.
What is the SMILES notation for 5-propyl-1-quinolin-8-yltriazol-4-amine?
The canonical SMILES for 5-propyl-1-quinolin-8-yltriazol-4-amine is CCCc1c(N)nnn1-c1cccc2cccnc12.
What is the InChIKey of 5-propyl-1-quinolin-8-yltriazol-4-amine?
The InChIKey is WHSZGAQXKCHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-5-12-14(15)17-18-19(12)11-8-3-6-10-7-4-9-16-13(10)11/h3-4,6-9H,2,5,15H2,1H3.
What are the key properties of 5-propyl-1-quinolin-8-yltriazol-4-amine?
5-propyl-1-quinolin-8-yltriazol-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-quinolin-8-yltriazol-4-amine is sourced from PubChem (CID 79502823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).