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

C7H7ClN6O — CID 81341224

IUPAC4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine
SMILESCc1cc(Oc2nc(N)nc(Cl)n2)n[nH]1
InChIInChI=1S/C7H7ClN6O/c1-3-2-4(14-13-3)15-7-11-5(8)10-6(9)12-7/h2H,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyPYVGZMQTFZOQGO-UHFFFAOYSA-N
MW226.63 g/mol
LogP0.93
Rot. Bonds2

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

4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine (PubChem CID 81341224) has the molecular formula C7H7ClN6O and a molecular weight of 226.63 g/mol. Its IUPAC name is 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine
PubChem CID81341224
Molecular FormulaC7H7ClN6O
Molecular Weight226.63 g/mol
Exact Mass226.04
IUPAC Name4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine
SMILESCc1cc(Oc2nc(N)nc(Cl)n2)n[nH]1
InChIInChI=1S/C7H7ClN6O/c1-3-2-4(14-13-3)15-7-11-5(8)10-6(9)12-7/h2H,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyPYVGZMQTFZOQGO-UHFFFAOYSA-N
XLogP0.93
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine (CID 81341224) is 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine is Cc1cc(Oc2nc(N)nc(Cl)n2)n[nH]1.
What is the InChIKey of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
The InChIKey is PYVGZMQTFZOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6O/c1-3-2-4(14-13-3)15-7-11-5(8)10-6(9)12-7/h2H,1H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine?
4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine has a molecular weight of 226.63 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 81341224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).