5-propan-2-yl-1-quinolin-8-yltriazol-4-amine

C14H15N5 — CID 79502966

IUPAC5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1-c1cccc2cccnc12
InChIInChI=1S/C14H15N5/c1-9(2)13-14(15)17-18-19(13)11-7-3-5-10-6-4-8-16-12(10)11/h3-9H,15H2,1-2H3
InChIKeyTTWCTSBALHKFCR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.52
Rot. Bonds2

About 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine

5-propan-2-yl-1-quinolin-8-yltriazol-4-amine (PubChem CID 79502966) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
PubChem CID79502966
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1-c1cccc2cccnc12
InChIInChI=1S/C14H15N5/c1-9(2)13-14(15)17-18-19(13)11-7-3-5-10-6-4-8-16-12(10)11/h3-9H,15H2,1-2H3
InChIKeyTTWCTSBALHKFCR-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine?
The IUPAC name of 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine (CID 79502966) is 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine.
What is the SMILES notation for 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine?
The canonical SMILES for 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine is CC(C)c1c(N)nnn1-c1cccc2cccnc12.
What is the InChIKey of 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine?
The InChIKey is TTWCTSBALHKFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9(2)13-14(15)17-18-19(13)11-7-3-5-10-6-4-8-16-12(10)11/h3-9H,15H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine?
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-quinolin-8-yltriazol-4-amine is sourced from PubChem (CID 79502966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).