N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

C9H14N4O — CID 130556518

IUPACN-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(C)CCC1NC(=O)c1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-9(2)4-3-6(9)12-8(14)7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H,12,14)(H,10,11,13)
InChIKeyBJPRZMZVXCMJPU-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.72
Rot. Bonds2

About N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 130556518) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID130556518
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(C)CCC1NC(=O)c1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-9(2)4-3-6(9)12-8(14)7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H,12,14)(H,10,11,13)
InChIKeyBJPRZMZVXCMJPU-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (CID 130556518) is N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is CC1(C)CCC1NC(=O)c1ncn[nH]1.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BJPRZMZVXCMJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(2)4-3-6(9)12-8(14)7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H,12,14)(H,10,11,13).
What are the key properties of N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 130556518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).