1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile

C12H11N5O3 — CID 36992614

IUPAC1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1noc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1
InChIInChI=1S/C12H11N5O3/c1-7-14-10(20-15-7)6-17-11(18)8(4-13)5-16(12(17)19)9-2-3-9/h5,9H,2-3,6H2,1H3
InChIKeyAYMVGAKPOCQKBG-UHFFFAOYSA-N
MW273.25 g/mol
LogP-0.04
Rot. Bonds3

About 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile

1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 36992614) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID36992614
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1noc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1
InChIInChI=1S/C12H11N5O3/c1-7-14-10(20-15-7)6-17-11(18)8(4-13)5-16(12(17)19)9-2-3-9/h5,9H,2-3,6H2,1H3
InChIKeyAYMVGAKPOCQKBG-UHFFFAOYSA-N
XLogP-0.04
TPSA106.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 36992614) is 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile is Cc1noc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is AYMVGAKPOCQKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-7-14-10(20-15-7)6-17-11(18)8(4-13)5-16(12(17)19)9-2-3-9/h5,9H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 273.25 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 36992614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).