4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine

C13H19ClN6O — CID 116801128

IUPAC4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H19ClN6O/c1-5-19(6-2)12-16-11(14)17-13(18-12)21-10-7-15-20(8-10)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyFVHQVCIYERBUKI-UHFFFAOYSA-N
MW310.79 g/mol
LogP2.94
Rot. Bonds6

About 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine (PubChem CID 116801128) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
PubChem CID116801128
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC Name4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H19ClN6O/c1-5-19(6-2)12-16-11(14)17-13(18-12)21-10-7-15-20(8-10)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyFVHQVCIYERBUKI-UHFFFAOYSA-N
XLogP2.94
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine (CID 116801128) is 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2cnn(C(C)C)c2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
The InChIKey is FVHQVCIYERBUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6O/c1-5-19(6-2)12-16-11(14)17-13(18-12)21-10-7-15-20(8-10)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine has a molecular weight of 310.79 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 116801128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).