3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione

C13H12N6O2 — CID 75422587

IUPAC3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1Cc1nnnn1C1CC1
InChIInChI=1S/C13H12N6O2/c20-12-9-3-1-2-4-10(9)14-13(21)18(12)7-11-15-16-17-19(11)8-5-6-8/h1-4,8H,5-7H2,(H,14,21)
InChIKeyXECUBVJXSIHZCB-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.06
Rot. Bonds3

About 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione

3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione (PubChem CID 75422587) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione
PubChem CID75422587
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1Cc1nnnn1C1CC1
InChIInChI=1S/C13H12N6O2/c20-12-9-3-1-2-4-10(9)14-13(21)18(12)7-11-15-16-17-19(11)8-5-6-8/h1-4,8H,5-7H2,(H,14,21)
InChIKeyXECUBVJXSIHZCB-UHFFFAOYSA-N
XLogP0.06
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione (CID 75422587) is 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1Cc1nnnn1C1CC1.
What is the InChIKey of 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione?
The InChIKey is XECUBVJXSIHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c20-12-9-3-1-2-4-10(9)14-13(21)18(12)7-11-15-16-17-19(11)8-5-6-8/h1-4,8H,5-7H2,(H,14,21).
What are the key properties of 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione?
3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione has a molecular weight of 284.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 75422587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).