N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

C15H21N5O2 — CID 131687243

IUPACN-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESCn1cnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-19-9-16-12(18-19)14(22)20-5-4-15(8-20)6-11(7-15)17-13(21)10-2-3-10/h9-11H,2-8H2,1H3,(H,17,21)
InChIKeyREUBENLXYQHMAI-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.34
Rot. Bonds3

About N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (PubChem CID 131687243) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
PubChem CID131687243
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESCn1cnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-19-9-16-12(18-19)14(22)20-5-4-15(8-20)6-11(7-15)17-13(21)10-2-3-10/h9-11H,2-8H2,1H3,(H,17,21)
InChIKeyREUBENLXYQHMAI-UHFFFAOYSA-N
XLogP0.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (CID 131687243) is N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is Cn1cnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)n1.
What is the InChIKey of N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The InChIKey is REUBENLXYQHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-9-16-12(18-19)14(22)20-5-4-15(8-20)6-11(7-15)17-13(21)10-2-3-10/h9-11H,2-8H2,1H3,(H,17,21).
What are the key properties of N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methyl-1,2,4-triazole-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 131687243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).