6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline

C15H16N6O2 — CID 165435774

IUPAC6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CC(n4nccn4)C3)c2cc1OC
InChIInChI=1S/C15H16N6O2/c1-22-13-5-11-12(6-14(13)23-2)16-9-17-15(11)20-7-10(8-20)21-18-3-4-19-21/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBQRRUBFDOOUPHQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.30
Rot. Bonds4

About 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline

6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline (PubChem CID 165435774) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
PubChem CID165435774
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CC(n4nccn4)C3)c2cc1OC
InChIInChI=1S/C15H16N6O2/c1-22-13-5-11-12(6-14(13)23-2)16-9-17-15(11)20-7-10(8-20)21-18-3-4-19-21/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBQRRUBFDOOUPHQ-UHFFFAOYSA-N
XLogP1.30
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline (CID 165435774) is 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline is COc1cc2ncnc(N3CC(n4nccn4)C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
The InChIKey is BQRRUBFDOOUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-22-13-5-11-12(6-14(13)23-2)16-9-17-15(11)20-7-10(8-20)21-18-3-4-19-21/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline?
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline has a molecular weight of 312.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline is sourced from PubChem (CID 165435774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).