5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine

C13H14N6 — CID 58976356

IUPAC5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C13H14N6/c1-2-15-13-17-12(14)18-19(13)11-8-7-9-5-3-4-6-10(9)16-11/h3-8H,2H2,1H3,(H3,14,15,17,18)
InChIKeyDMRRMAHACMSBDO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.83
Rot. Bonds3

About 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine

5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 58976356) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine
PubChem CID58976356
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C13H14N6/c1-2-15-13-17-12(14)18-19(13)11-8-7-9-5-3-4-6-10(9)16-11/h3-8H,2H2,1H3,(H3,14,15,17,18)
InChIKeyDMRRMAHACMSBDO-UHFFFAOYSA-N
XLogP1.83
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine (CID 58976356) is 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine is CCNc1nc(N)nn1-c1ccc2ccccc2n1.
What is the InChIKey of 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is DMRRMAHACMSBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-2-15-13-17-12(14)18-19(13)11-8-7-9-5-3-4-6-10(9)16-11/h3-8H,2H2,1H3,(H3,14,15,17,18).
What are the key properties of 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine?
5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1-quinolin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).