4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

C14H21N7O3 — CID 119040093

IUPAC4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1C1CN(c2c([N+](=O)[O-])c(C)nn2CC)CCO1
InChIInChI=1S/C14H21N7O3/c1-4-18-9-15-16-13(18)11-8-19(6-7-24-11)14-12(21(22)23)10(3)17-20(14)5-2/h9,11H,4-8H2,1-3H3
InChIKeyYGNPOSNVZOSIIF-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.31
Rot. Bonds5

About 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 119040093) has the molecular formula C14H21N7O3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID119040093
Molecular FormulaC14H21N7O3
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC Name4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1C1CN(c2c([N+](=O)[O-])c(C)nn2CC)CCO1
InChIInChI=1S/C14H21N7O3/c1-4-18-9-15-16-13(18)11-8-19(6-7-24-11)14-12(21(22)23)10(3)17-20(14)5-2/h9,11H,4-8H2,1-3H3
InChIKeyYGNPOSNVZOSIIF-UHFFFAOYSA-N
XLogP1.31
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 119040093) is 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCn1cnnc1C1CN(c2c([N+](=O)[O-])c(C)nn2CC)CCO1.
What is the InChIKey of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is YGNPOSNVZOSIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O3/c1-4-18-9-15-16-13(18)11-8-19(6-7-24-11)14-12(21(22)23)10(3)17-20(14)5-2/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 335.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 119040093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).