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

C12H17N5O2 — CID 50971116

IUPAC1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione
SMILESCC(C)Cc1nc(CCn2ccc(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C12H17N5O2/c1-8(2)7-10-13-9(15-16-10)3-5-17-6-4-11(18)14-12(17)19/h4,6,8H,3,5,7H2,1-2H3,(H,13,15,16)(H,14,18,19)
InChIKeyTYMZVGSPKFWKLZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.10
Rot. Bonds5

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

1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 50971116) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione
PubChem CID50971116
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione
SMILESCC(C)Cc1nc(CCn2ccc(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C12H17N5O2/c1-8(2)7-10-13-9(15-16-10)3-5-17-6-4-11(18)14-12(17)19/h4,6,8H,3,5,7H2,1-2H3,(H,13,15,16)(H,14,18,19)
InChIKeyTYMZVGSPKFWKLZ-UHFFFAOYSA-N
XLogP0.10
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione (CID 50971116) is 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione is CC(C)Cc1nc(CCn2ccc(=O)[nH]c2=O)n[nH]1.
What is the InChIKey of 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is TYMZVGSPKFWKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(2)7-10-13-9(15-16-10)3-5-17-6-4-11(18)14-12(17)19/h4,6,8H,3,5,7H2,1-2H3,(H,13,15,16)(H,14,18,19).
What are the key properties of 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione?
1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 50971116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).