4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine

C9H14N6 — CID 12687833

IUPAC4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(N2N=CCC2C)n1
InChIInChI=1S/C9H14N6/c1-3-7-12-8(10)14-9(13-7)15-6(2)4-5-11-15/h5-6H,3-4H2,1-2H3,(H2,10,12,13,14)
InChIKeyIQRFDCPGLNIICT-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.60
Rot. Bonds2

About 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine

4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine (PubChem CID 12687833) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine
PubChem CID12687833
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(N2N=CCC2C)n1
InChIInChI=1S/C9H14N6/c1-3-7-12-8(10)14-9(13-7)15-6(2)4-5-11-15/h5-6H,3-4H2,1-2H3,(H2,10,12,13,14)
InChIKeyIQRFDCPGLNIICT-UHFFFAOYSA-N
XLogP0.60
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine (CID 12687833) is 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(N2N=CCC2C)n1.
What is the InChIKey of 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is IQRFDCPGLNIICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-3-7-12-8(10)14-9(13-7)15-6(2)4-5-11-15/h5-6H,3-4H2,1-2H3,(H2,10,12,13,14).
What are the key properties of 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine?
4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 206.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 12687833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).