1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C19H21N5O6 — CID 123640794

IUPAC1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cn(Cc3ccccc3)nn2)cc1C1OC(CO)C(O)C1O
InChIInChI=1S/C19H21N5O6/c25-10-14-15(26)16(27)17(30-14)13-9-23(19(29)20-18(13)28)7-12-8-24(22-21-12)6-11-4-2-1-3-5-11/h1-5,8-9,14-17,25-27H,6-7,10H2,(H,20,28,29)
InChIKeyGDXRNDBFKNMKBU-UHFFFAOYSA-N
MW415.41 g/mol
LogP-1.62
Rot. Bonds6

About 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 123640794) has the molecular formula C19H21N5O6 and a molecular weight of 415.41 g/mol. Its IUPAC name is 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID123640794
Molecular FormulaC19H21N5O6
Molecular Weight415.41 g/mol
Exact Mass415.15
IUPAC Name1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cn(Cc3ccccc3)nn2)cc1C1OC(CO)C(O)C1O
InChIInChI=1S/C19H21N5O6/c25-10-14-15(26)16(27)17(30-14)13-9-23(19(29)20-18(13)28)7-12-8-24(22-21-12)6-11-4-2-1-3-5-11/h1-5,8-9,14-17,25-27H,6-7,10H2,(H,20,28,29)
InChIKeyGDXRNDBFKNMKBU-UHFFFAOYSA-N
XLogP-1.62
TPSA155.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 123640794) is 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2cn(Cc3ccccc3)nn2)cc1C1OC(CO)C(O)C1O.
What is the InChIKey of 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is GDXRNDBFKNMKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O6/c25-10-14-15(26)16(27)17(30-14)13-9-23(19(29)20-18(13)28)7-12-8-24(22-21-12)6-11-4-2-1-3-5-11/h1-5,8-9,14-17,25-27H,6-7,10H2,(H,20,28,29).
What are the key properties of 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 415.41 g/mol, XLogP of -1.62, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltriazol-4-yl)methyl]-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 123640794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).