1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

C10H13N7O4 — CID 166926176

IUPAC1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(N)=O)cn(Cc2nnn(CCO)n2)c1=O
InChIInChI=1S/C10H13N7O4/c1-15-9(20)6(8(11)19)4-16(10(15)21)5-7-12-14-17(13-7)2-3-18/h4,18H,2-3,5H2,1H3,(H2,11,19)
InChIKeyDZQAHUXIFFXWGA-UHFFFAOYSA-N
MW295.26 g/mol
LogP-3.33
Rot. Bonds5

About 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 166926176) has the molecular formula C10H13N7O4 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID166926176
Molecular FormulaC10H13N7O4
Molecular Weight295.26 g/mol
Exact Mass295.10
IUPAC Name1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(N)=O)cn(Cc2nnn(CCO)n2)c1=O
InChIInChI=1S/C10H13N7O4/c1-15-9(20)6(8(11)19)4-16(10(15)21)5-7-12-14-17(13-7)2-3-18/h4,18H,2-3,5H2,1H3,(H2,11,19)
InChIKeyDZQAHUXIFFXWGA-UHFFFAOYSA-N
XLogP-3.33
TPSA150.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 5-3.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 166926176) is 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1c(=O)c(C(N)=O)cn(Cc2nnn(CCO)n2)c1=O.
What is the InChIKey of 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is DZQAHUXIFFXWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O4/c1-15-9(20)6(8(11)19)4-16(10(15)21)5-7-12-14-17(13-7)2-3-18/h4,18H,2-3,5H2,1H3,(H2,11,19).
What are the key properties of 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 295.26 g/mol, XLogP of -3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-hydroxyethyl)tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 166926176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).