1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione

C11H13N5O2 — CID 50973982

IUPAC1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCc2nc(C3CC3)n[nH]2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c17-9-4-6-16(11(18)13-9)5-3-8-12-10(15-14-8)7-1-2-7/h4,6-7H,1-3,5H2,(H,12,14,15)(H,13,17,18)
InChIKeyAZJYSQGFBHHQRW-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.23
Rot. Bonds4

About 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione

1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 50973982) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione
PubChem CID50973982
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCc2nc(C3CC3)n[nH]2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c17-9-4-6-16(11(18)13-9)5-3-8-12-10(15-14-8)7-1-2-7/h4,6-7H,1-3,5H2,(H,12,14,15)(H,13,17,18)
InChIKeyAZJYSQGFBHHQRW-UHFFFAOYSA-N
XLogP-0.23
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione (CID 50973982) is 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione is O=c1ccn(CCc2nc(C3CC3)n[nH]2)c(=O)[nH]1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is AZJYSQGFBHHQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-9-4-6-16(11(18)13-9)5-3-8-12-10(15-14-8)7-1-2-7/h4,6-7H,1-3,5H2,(H,12,14,15)(H,13,17,18).
What are the key properties of 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione?
1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 247.26 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 50973982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).