2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide

C10H12N6O3 — CID 64547861

IUPAC2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N6O3/c17-8(6-4-12-10(19)15-9(6)18)11-3-1-2-7-13-5-14-16-7/h4-5H,1-3H2,(H,11,17)(H,13,14,16)(H2,12,15,18,19)
InChIKeyKVHIRMHUVKTOEG-UHFFFAOYSA-N
MW264.24 g/mol
LogP-1.46
Rot. Bonds5

About 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide (PubChem CID 64547861) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide
PubChem CID64547861
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N6O3/c17-8(6-4-12-10(19)15-9(6)18)11-3-1-2-7-13-5-14-16-7/h4-5H,1-3H2,(H,11,17)(H,13,14,16)(H2,12,15,18,19)
InChIKeyKVHIRMHUVKTOEG-UHFFFAOYSA-N
XLogP-1.46
TPSA136.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide (CID 64547861) is 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide is O=C(NCCCc1ncn[nH]1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is KVHIRMHUVKTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c17-8(6-4-12-10(19)15-9(6)18)11-3-1-2-7-13-5-14-16-7/h4-5H,1-3H2,(H,11,17)(H,13,14,16)(H2,12,15,18,19).
What are the key properties of 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 264.24 g/mol, XLogP of -1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 64547861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).