5-amino-N-cyclobutyl-2H-triazole-4-carboxamide

C7H11N5O — CID 105439344

IUPAC5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NC1CCC1
InChIInChI=1S/C7H11N5O/c8-6-5(10-12-11-6)7(13)9-4-2-1-3-4/h4H,1-3H2,(H,9,13)(H3,8,10,11,12)
InChIKeyODICJTIOELHCLP-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.33
Rot. Bonds2

About 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide

5-amino-N-cyclobutyl-2H-triazole-4-carboxamide (PubChem CID 105439344) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
PubChem CID105439344
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NC1CCC1
InChIInChI=1S/C7H11N5O/c8-6-5(10-12-11-6)7(13)9-4-2-1-3-4/h4H,1-3H2,(H,9,13)(H3,8,10,11,12)
InChIKeyODICJTIOELHCLP-UHFFFAOYSA-N
XLogP-0.33
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide (CID 105439344) is 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide is Nc1n[nH]nc1C(=O)NC1CCC1.
What is the InChIKey of 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide?
The InChIKey is ODICJTIOELHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c8-6-5(10-12-11-6)7(13)9-4-2-1-3-4/h4H,1-3H2,(H,9,13)(H3,8,10,11,12).
What are the key properties of 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide?
5-amino-N-cyclobutyl-2H-triazole-4-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclobutyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 105439344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).