N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine

C12H14N8O — CID 81333170

IUPACN-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Oc2cc(C)[nH]n2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H14N8O/c1-3-14-10-15-11(20-5-4-13-7-20)17-12(16-10)21-9-6-8(2)18-19-9/h4-7H,3H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyKJTQJKIMMWPXAO-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.31
Rot. Bonds5

About N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine

N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine (PubChem CID 81333170) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine
PubChem CID81333170
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine
SMILESCCNc1nc(Oc2cc(C)[nH]n2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H14N8O/c1-3-14-10-15-11(20-5-4-13-7-20)17-12(16-10)21-9-6-8(2)18-19-9/h4-7H,3H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyKJTQJKIMMWPXAO-UHFFFAOYSA-N
XLogP1.31
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine (CID 81333170) is N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine is CCNc1nc(Oc2cc(C)[nH]n2)nc(-n2ccnc2)n1.
What is the InChIKey of N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
The InChIKey is KJTQJKIMMWPXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-3-14-10-15-11(20-5-4-13-7-20)17-12(16-10)21-9-6-8(2)18-19-9/h4-7H,3H2,1-2H3,(H,18,19)(H,14,15,16,17).
What are the key properties of N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine has a molecular weight of 286.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 81333170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).