1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione

C10H13N5O4 — CID 15067645

IUPAC1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(OCCO)c2cn[nH]n2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O4/c1-6-5-15(10(18)12-8(6)17)9(19-3-2-16)7-4-11-14-13-7/h4-5,9,16H,2-3H2,1H3,(H,11,13,14)(H,12,17,18)
InChIKeyZROMOOYGYDLKMP-UHFFFAOYSA-N
MW267.25 g/mol
LogP-1.48
Rot. Bonds5

About 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione

1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 15067645) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID15067645
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(OCCO)c2cn[nH]n2)c(=O)[nH]c1=O
InChIInChI=1S/C10H13N5O4/c1-6-5-15(10(18)12-8(6)17)9(19-3-2-16)7-4-11-14-13-7/h4-5,9,16H,2-3H2,1H3,(H,11,13,14)(H,12,17,18)
InChIKeyZROMOOYGYDLKMP-UHFFFAOYSA-N
XLogP-1.48
TPSA125.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 15583556
propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 11543758
2-[3-hydroxy-2-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]-2-phosphonoacetic acid
CID 130276120
1-[1-[(2S)-1,4-dihydroxy-3,3-dimethylbutan-2-yl]oxyethyl]-5-methylpyrimidine-2,4-dione
CID 70899020
1-[(1R)-1-[(3R)-1-hydroxy-3-(methylamino)butan-2-yl]oxyethyl]-5-methylpyrimidine-2,4-dione
CID 174006559
1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 89429421
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate
CID 142715788
[(2S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-propan-2-yloxypropoxy]-propan-2-ylphosphinic acid
CID 176853308
CID 6331237
CID 6331237
sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
CID 139627493
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione;methylsulfinylmethane;dihydrate
CID 139190226

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione (CID 15067645) is 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C(OCCO)c2cn[nH]n2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ZROMOOYGYDLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-6-5-15(10(18)12-8(6)17)9(19-3-2-16)7-4-11-14-13-7/h4-5,9,16H,2-3H2,1H3,(H,11,13,14)(H,12,17,18).
What are the key properties of 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 267.25 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethoxy(2H-triazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15067645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).