2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine

C13H21N7O — CID 116794456

IUPAC2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Oc2cnn(C)c2)nc(N(CC)CC)n1
InChIInChI=1S/C13H21N7O/c1-5-14-11-16-12(20(6-2)7-3)18-13(17-11)21-10-8-15-19(4)9-10/h8-9H,5-7H2,1-4H3,(H,14,16,17,18)
InChIKeyGIRHFNWIRXOFRN-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.68
Rot. Bonds7

About 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 116794456) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine
PubChem CID116794456
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Oc2cnn(C)c2)nc(N(CC)CC)n1
InChIInChI=1S/C13H21N7O/c1-5-14-11-16-12(20(6-2)7-3)18-13(17-11)21-10-8-15-19(4)9-10/h8-9H,5-7H2,1-4H3,(H,14,16,17,18)
InChIKeyGIRHFNWIRXOFRN-UHFFFAOYSA-N
XLogP1.68
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine (CID 116794456) is 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine is CCNc1nc(Oc2cnn(C)c2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GIRHFNWIRXOFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-5-14-11-16-12(20(6-2)7-3)18-13(17-11)21-10-8-15-19(4)9-10/h8-9H,5-7H2,1-4H3,(H,14,16,17,18).
What are the key properties of 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 116794456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).