4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine

C19H17N5O — CID 2135608

IUPAC4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine
SMILESc1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1
InChIInChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-19-20-18(23-10-12-25-13-11-23)15-8-4-5-9-16(15)24(19)22-21-17/h1-9H,10-13H2
InChIKeyVMFFFAVFLDKDOW-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.78
Rot. Bonds2

About 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine

4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine (PubChem CID 2135608) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine
PubChem CID2135608
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine
SMILESc1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1
InChIInChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-19-20-18(23-10-12-25-13-11-23)15-8-4-5-9-16(15)24(19)22-21-17/h1-9H,10-13H2
InChIKeyVMFFFAVFLDKDOW-UHFFFAOYSA-N
XLogP2.78
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine?
The IUPAC name of 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine (CID 2135608) is 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine.
What is the SMILES notation for 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine?
The canonical SMILES for 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine is c1ccc(-c2nnn3c2nc(N2CCOCC2)c2ccccc23)cc1.
What is the InChIKey of 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine?
The InChIKey is VMFFFAVFLDKDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-19-20-18(23-10-12-25-13-11-23)15-8-4-5-9-16(15)24(19)22-21-17/h1-9H,10-13H2.
What are the key properties of 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine?
4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine has a molecular weight of 331.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyltriazolo[1,5-a]quinazolin-5-yl)morpholine is sourced from PubChem (CID 2135608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).