N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide

C13H21N5O — CID 55245594

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1ncn[nH]1
InChIInChI=1S/C13H21N5O/c19-12(11-14-9-16-18-11)17-10-4-7-15-13(8-10)5-2-1-3-6-13/h9-10,15H,1-8H2,(H,17,19)(H,14,16,18)
InChIKeyZWEDHPIOALAMNH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55245594) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID55245594
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCNC2(CCCCC2)C1)c1ncn[nH]1
InChIInChI=1S/C13H21N5O/c19-12(11-14-9-16-18-11)17-10-4-7-15-13(8-10)5-2-1-3-6-13/h9-10,15H,1-8H2,(H,17,19)(H,14,16,18)
InChIKeyZWEDHPIOALAMNH-UHFFFAOYSA-N
XLogP0.99
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 55245594) is N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(NC1CCNC2(CCCCC2)C1)c1ncn[nH]1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZWEDHPIOALAMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-12(11-14-9-16-18-11)17-10-4-7-15-13(8-10)5-2-1-3-6-13/h9-10,15H,1-8H2,(H,17,19)(H,14,16,18).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55245594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).