N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide

C19H18N6O — CID 6619965

IUPACN-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C19H18N6O/c1-13(26)20-11-12-21-18-15-9-5-6-10-16(15)25-19(22-18)17(23-24-25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,26)(H,21,22)
InChIKeyZYTFDLBKXJVNTN-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.49
Rot. Bonds5

About N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide

N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide (PubChem CID 6619965) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide
PubChem CID6619965
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C19H18N6O/c1-13(26)20-11-12-21-18-15-9-5-6-10-16(15)25-19(22-18)17(23-24-25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,26)(H,21,22)
InChIKeyZYTFDLBKXJVNTN-UHFFFAOYSA-N
XLogP2.49
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide (CID 6619965) is N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc2c(-c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide?
The InChIKey is ZYTFDLBKXJVNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13(26)20-11-12-21-18-15-9-5-6-10-16(15)25-19(22-18)17(23-24-25)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,26)(H,21,22).
What are the key properties of N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide?
N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-phenyltriazolo[1,5-a]quinazolin-5-yl)amino]ethyl]acetamide is sourced from PubChem (CID 6619965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).