5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline

C12H12FN5O — CID 163378477

IUPAC5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline
SMILESCOc1ncc2c(F)cc3nnn(C(C)C)c3c2n1
InChIInChI=1S/C12H12FN5O/c1-6(2)18-11-9(16-17-18)4-8(13)7-5-14-12(19-3)15-10(7)11/h4-6H,1-3H3
InChIKeyOGVOSHOGGDRFLE-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.10
Rot. Bonds2

About 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline

5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline (PubChem CID 163378477) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline.

Molecular Properties

Compound Name5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline
PubChem CID163378477
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline
SMILESCOc1ncc2c(F)cc3nnn(C(C)C)c3c2n1
InChIInChI=1S/C12H12FN5O/c1-6(2)18-11-9(16-17-18)4-8(13)7-5-14-12(19-3)15-10(7)11/h4-6H,1-3H3
InChIKeyOGVOSHOGGDRFLE-UHFFFAOYSA-N
XLogP2.10
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline?
The IUPAC name of 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline (CID 163378477) is 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline.
What is the SMILES notation for 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline?
The canonical SMILES for 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline is COc1ncc2c(F)cc3nnn(C(C)C)c3c2n1.
What is the InChIKey of 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline?
The InChIKey is OGVOSHOGGDRFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-6(2)18-11-9(16-17-18)4-8(13)7-5-14-12(19-3)15-10(7)11/h4-6H,1-3H3.
What are the key properties of 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline?
5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline has a molecular weight of 261.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-methoxy-1-propan-2-yltriazolo[4,5-h]quinazoline is sourced from PubChem (CID 163378477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).