4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C19H23N7O2 — CID 3149151

IUPAC4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C19H23N7O2/c1-4-20-17-22-18(21-13(2)3)24-19(23-17)28-16-11-10-15(25-26-16)27-12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyDSQMLESLLHKQSX-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.29
Rot. Bonds9

About 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 3149151) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID3149151
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
InChIInChI=1S/C19H23N7O2/c1-4-20-17-22-18(21-13(2)3)24-19(23-17)28-16-11-10-15(25-26-16)27-12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyDSQMLESLLHKQSX-UHFFFAOYSA-N
XLogP3.29
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 3149151) is 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1.
What is the InChIKey of 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DSQMLESLLHKQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-4-20-17-22-18(21-13(2)3)24-19(23-17)28-16-11-10-15(25-26-16)27-12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 381.44 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(6-phenylmethoxypyridazin-3-yl)oxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3149151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).