6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

C19H20N8O2 — CID 56658543

IUPAC6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C19H20N8O2/c1-28-16-10-14(26-6-8-29-9-7-26)3-4-15(16)23-19-24-18(21)27(25-19)17-5-2-13(11-20)12-22-17/h2-5,10,12H,6-9H2,1H3,(H3,21,23,24,25)
InChIKeyXDLZXQLBNFDCPI-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.70
Rot. Bonds5

About 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (PubChem CID 56658543) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
PubChem CID56658543
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C#N)cn2)n1
InChIInChI=1S/C19H20N8O2/c1-28-16-10-14(26-6-8-29-9-7-26)3-4-15(16)23-19-24-18(21)27(25-19)17-5-2-13(11-20)12-22-17/h2-5,10,12H,6-9H2,1H3,(H3,21,23,24,25)
InChIKeyXDLZXQLBNFDCPI-UHFFFAOYSA-N
XLogP1.70
TPSA127.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (CID 56658543) is 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C#N)cn2)n1.
What is the InChIKey of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is XDLZXQLBNFDCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-28-16-10-14(26-6-8-29-9-7-26)3-4-15(16)23-19-24-18(21)27(25-19)17-5-2-13(11-20)12-22-17/h2-5,10,12H,6-9H2,1H3,(H3,21,23,24,25).
What are the key properties of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 392.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56658543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).