(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine

C12H11N5 — CID 63097229

IUPAC(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESNCc1nc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C12H11N5/c13-7-11-15-12(17-16-11)9-3-4-10-8(6-9)2-1-5-14-10/h1-6H,7,13H2,(H,15,16,17)
InChIKeyXXGKGVSJBLWMSD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds2

About (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine

(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 63097229) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID63097229
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESNCc1nc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C12H11N5/c13-7-11-15-12(17-16-11)9-3-4-10-8(6-9)2-1-5-14-10/h1-6H,7,13H2,(H,15,16,17)
InChIKeyXXGKGVSJBLWMSD-UHFFFAOYSA-N
XLogP1.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine (CID 63097229) is (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine is NCc1nc(-c2ccc3ncccc3c2)n[nH]1.
What is the InChIKey of (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is XXGKGVSJBLWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-7-11-15-12(17-16-11)9-3-4-10-8(6-9)2-1-5-14-10/h1-6H,7,13H2,(H,15,16,17).
What are the key properties of (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine?
(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 225.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 63097229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).