4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide

C11H17N5O3 — CID 83096513

IUPAC4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide
SMILESCCCc1nc(C(=O)N2CCOCC2C(N)=O)n[nH]1
InChIInChI=1S/C11H17N5O3/c1-2-3-8-13-10(15-14-8)11(18)16-4-5-19-6-7(16)9(12)17/h7H,2-6H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyXCYFJWOGULOSJM-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.92
Rot. Bonds4

About 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide

4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide (PubChem CID 83096513) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide
PubChem CID83096513
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide
SMILESCCCc1nc(C(=O)N2CCOCC2C(N)=O)n[nH]1
InChIInChI=1S/C11H17N5O3/c1-2-3-8-13-10(15-14-8)11(18)16-4-5-19-6-7(16)9(12)17/h7H,2-6H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyXCYFJWOGULOSJM-UHFFFAOYSA-N
XLogP-0.92
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide (CID 83096513) is 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide is CCCc1nc(C(=O)N2CCOCC2C(N)=O)n[nH]1.
What is the InChIKey of 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide?
The InChIKey is XCYFJWOGULOSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-3-8-13-10(15-14-8)11(18)16-4-5-19-6-7(16)9(12)17/h7H,2-6H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide?
4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83096513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).