4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C15H19N7O3 — CID 133374866

IUPAC4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCc1nc(C2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)CCO2)n[nH]1
InChIInChI=1S/C15H19N7O3/c1-4-11-17-12(19-18-11)10-8-22(5-6-25-10)13-9(7-16)14(23)21(3)15(24)20(13)2/h10H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyFGRBLXGNOQXJQG-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.79
Rot. Bonds3

About 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133374866) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133374866
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCc1nc(C2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)CCO2)n[nH]1
InChIInChI=1S/C15H19N7O3/c1-4-11-17-12(19-18-11)10-8-22(5-6-25-10)13-9(7-16)14(23)21(3)15(24)20(13)2/h10H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyFGRBLXGNOQXJQG-UHFFFAOYSA-N
XLogP-0.79
TPSA121.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile
CID 133280874
1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
CID 75448241
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile
CID 95278508
2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 79669765
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 127728912
(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one
CID 96996966
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 133443852
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]cyclobutane-1-carbonitrile
CID 167963882
4-[2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 96996849
1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 95766111
[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600443
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(4-methyl-2-nitrophenyl)morpholine
CID 133390002

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 133374866) is 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CCc1nc(C2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)CCO2)n[nH]1.
What is the InChIKey of 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is FGRBLXGNOQXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c1-4-11-17-12(19-18-11)10-8-22(5-6-25-10)13-9(7-16)14(23)21(3)15(24)20(13)2/h10H,4-6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133374866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).