5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione

C10H13N5O2 — CID 122543597

IUPAC5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2cn[nH]n2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O2/c1-5(2)8-7(3-6-4-11-15-14-6)12-10(17)13-9(8)16/h4-5H,3H2,1-2H3,(H,11,14,15)(H2,12,13,16,17)
InChIKeySQPJHAZATPOYOU-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.10
Rot. Bonds3

About 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione

5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 122543597) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID122543597
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2cn[nH]n2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O2/c1-5(2)8-7(3-6-4-11-15-14-6)12-10(17)13-9(8)16/h4-5H,3H2,1-2H3,(H,11,14,15)(H2,12,13,16,17)
InChIKeySQPJHAZATPOYOU-UHFFFAOYSA-N
XLogP-0.10
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione (CID 122543597) is 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione is CC(C)c1c(Cc2cn[nH]n2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SQPJHAZATPOYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5(2)8-7(3-6-4-11-15-14-6)12-10(17)13-9(8)16/h4-5H,3H2,1-2H3,(H,11,14,15)(H2,12,13,16,17).
What are the key properties of 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione?
5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 235.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-(2H-triazol-4-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122543597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).