3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C13H12N6O2 — CID 135637146

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncn[nH]1
InChIInChI=1S/C13H12N6O2/c20-11(18-13-14-7-15-19-13)6-5-10-16-9-4-2-1-3-8(9)12(21)17-10/h1-4,7H,5-6H2,(H,16,17,21)(H2,14,15,18,19,20)
InChIKeyDRHLULGQJBIVSI-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.61
Rot. Bonds4

About 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 135637146) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID135637146
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncn[nH]1
InChIInChI=1S/C13H12N6O2/c20-11(18-13-14-7-15-19-13)6-5-10-16-9-4-2-1-3-8(9)12(21)17-10/h1-4,7H,5-6H2,(H,16,17,21)(H2,14,15,18,19,20)
InChIKeyDRHLULGQJBIVSI-UHFFFAOYSA-N
XLogP0.61
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 135637146) is 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncn[nH]1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is DRHLULGQJBIVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c20-11(18-13-14-7-15-19-13)6-5-10-16-9-4-2-1-3-8(9)12(21)17-10/h1-4,7H,5-6H2,(H,16,17,21)(H2,14,15,18,19,20).
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 284.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 135637146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).