4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide

C11H16N6O3 — CID 83097063

IUPAC4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1n[nH]c(C(=O)N2CCOCC2C(=O)NC2CC2)n1
InChIInChI=1S/C11H16N6O3/c12-11-14-8(15-16-11)10(19)17-3-4-20-5-7(17)9(18)13-6-1-2-6/h6-7H,1-5H2,(H,13,18)(H3,12,14,15,16)
InChIKeyLQHILNZYCUEUMI-UHFFFAOYSA-N
MW280.29 g/mol
LogP-1.49
Rot. Bonds3

About 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide

4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83097063) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83097063
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1n[nH]c(C(=O)N2CCOCC2C(=O)NC2CC2)n1
InChIInChI=1S/C11H16N6O3/c12-11-14-8(15-16-11)10(19)17-3-4-20-5-7(17)9(18)13-6-1-2-6/h6-7H,1-5H2,(H,13,18)(H3,12,14,15,16)
InChIKeyLQHILNZYCUEUMI-UHFFFAOYSA-N
XLogP-1.49
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099541
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098612
4-(4-amino-1-methylpyrrole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099533
N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
CID 83102563
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102689
N-cyclopropyl-4-(6-fluoropyridine-3-carbonyl)morpholine-3-carboxamide
CID 83098403
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide (CID 83097063) is 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide is Nc1n[nH]c(C(=O)N2CCOCC2C(=O)NC2CC2)n1.
What is the InChIKey of 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is LQHILNZYCUEUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c12-11-14-8(15-16-11)10(19)17-3-4-20-5-7(17)9(18)13-6-1-2-6/h6-7H,1-5H2,(H,13,18)(H3,12,14,15,16).
What are the key properties of 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83097063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).