(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine

C18H19N7OS — CID 118081741

IUPAC(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
SMILESCCO/N=C1\CCN(C)c2nnc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C18H19N7OS/c1-4-26-24-13-7-9-25(3)17-14(13)21-16(22-23-17)15-11(2)20-18(27-15)12-6-5-8-19-10-12/h5-6,8,10H,4,7,9H2,1-3H3/b24-13+
InChIKeyJHSRMYKVWPOUOP-ZMOGYAJESA-N
MW381.47 g/mol
LogP2.95
Rot. Bonds4

About (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine

(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine (PubChem CID 118081741) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine.

Molecular Properties

Compound Name(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
PubChem CID118081741
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
SMILESCCO/N=C1\CCN(C)c2nnc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C18H19N7OS/c1-4-26-24-13-7-9-25(3)17-14(13)21-16(22-23-17)15-11(2)20-18(27-15)12-6-5-8-19-10-12/h5-6,8,10H,4,7,9H2,1-3H3/b24-13+
InChIKeyJHSRMYKVWPOUOP-ZMOGYAJESA-N
XLogP2.95
TPSA89.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine?
The IUPAC name of (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine (CID 118081741) is (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine.
What is the SMILES notation for (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine?
The canonical SMILES for (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine is CCO/N=C1\CCN(C)c2nnc(-c3sc(-c4cccnc4)nc3C)nc21.
What is the InChIKey of (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine?
The InChIKey is JHSRMYKVWPOUOP-ZMOGYAJESA-N. The full InChI is InChI=1S/C18H19N7OS/c1-4-26-24-13-7-9-25(3)17-14(13)21-16(22-23-17)15-11(2)20-18(27-15)12-6-5-8-19-10-12/h5-6,8,10H,4,7,9H2,1-3H3/b24-13+.
What are the key properties of (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine?
(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine has a molecular weight of 381.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine is sourced from PubChem (CID 118081741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).