5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione

C10H12ClN5O2 — CID 66424374

IUPAC5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCCCn1ncnc1Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C10H12ClN5O2/c1-2-3-16-8(12-6-13-16)5-15-4-7(11)9(17)14-10(15)18/h4,6H,2-3,5H2,1H3,(H,14,17,18)
InChIKeyPRKCIEYELUWTFL-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.24
Rot. Bonds4

About 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione

5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 66424374) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID66424374
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCCCn1ncnc1Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C10H12ClN5O2/c1-2-3-16-8(12-6-13-16)5-15-4-7(11)9(17)14-10(15)18/h4,6H,2-3,5H2,1H3,(H,14,17,18)
InChIKeyPRKCIEYELUWTFL-UHFFFAOYSA-N
XLogP0.24
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione (CID 66424374) is 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione is CCCn1ncnc1Cn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is PRKCIEYELUWTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-2-3-16-8(12-6-13-16)5-15-4-7(11)9(17)14-10(15)18/h4,6H,2-3,5H2,1H3,(H,14,17,18).
What are the key properties of 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 269.69 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).