6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline

C16H19N5O4S — CID 164621859

IUPAC6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
SMILESCOCCOc1cc2ncnc(Sc3ncn[nH]3)c2cc1OCCOC
InChIInChI=1S/C16H19N5O4S/c1-22-3-5-24-13-7-11-12(8-14(13)25-6-4-23-2)17-9-18-15(11)26-16-19-10-20-21-16/h7-10H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyHQODWLCNCDNJDJ-UHFFFAOYSA-N
MW377.43 g/mol
LogP1.95
Rot. Bonds10

About 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline

6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline (PubChem CID 164621859) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
PubChem CID164621859
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline
SMILESCOCCOc1cc2ncnc(Sc3ncn[nH]3)c2cc1OCCOC
InChIInChI=1S/C16H19N5O4S/c1-22-3-5-24-13-7-11-12(8-14(13)25-6-4-23-2)17-9-18-15(11)26-16-19-10-20-21-16/h7-10H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyHQODWLCNCDNJDJ-UHFFFAOYSA-N
XLogP1.95
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline (CID 164621859) is 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline is COCCOc1cc2ncnc(Sc3ncn[nH]3)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
The InChIKey is HQODWLCNCDNJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-22-3-5-24-13-7-11-12(8-14(13)25-6-4-23-2)17-9-18-15(11)26-16-19-10-20-21-16/h7-10H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline?
6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline has a molecular weight of 377.43 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazoline is sourced from PubChem (CID 164621859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).