4-(1,2,4-triazol-1-yl)quinolin-3-amine

C11H9N5 — CID 103963559

IUPAC4-(1,2,4-triazol-1-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1-n1cncn1
InChIInChI=1S/C11H9N5/c12-9-5-14-10-4-2-1-3-8(10)11(9)16-7-13-6-15-16/h1-7H,12H2
InChIKeyMFIFXTUFRCJNPQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

About 4-(1,2,4-triazol-1-yl)quinolin-3-amine

4-(1,2,4-triazol-1-yl)quinolin-3-amine (PubChem CID 103963559) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)quinolin-3-amine.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)quinolin-3-amine
PubChem CID103963559
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name4-(1,2,4-triazol-1-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1-n1cncn1
InChIInChI=1S/C11H9N5/c12-9-5-14-10-4-2-1-3-8(10)11(9)16-7-13-6-15-16/h1-7H,12H2
InChIKeyMFIFXTUFRCJNPQ-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)quinolin-3-amine?
The IUPAC name of 4-(1,2,4-triazol-1-yl)quinolin-3-amine (CID 103963559) is 4-(1,2,4-triazol-1-yl)quinolin-3-amine.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)quinolin-3-amine?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)quinolin-3-amine is Nc1cnc2ccccc2c1-n1cncn1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)quinolin-3-amine?
The InChIKey is MFIFXTUFRCJNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-9-5-14-10-4-2-1-3-8(10)11(9)16-7-13-6-15-16/h1-7H,12H2.
What are the key properties of 4-(1,2,4-triazol-1-yl)quinolin-3-amine?
4-(1,2,4-triazol-1-yl)quinolin-3-amine has a molecular weight of 211.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)quinolin-3-amine is sourced from PubChem (CID 103963559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).