5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide

C7H13N5O — CID 110484770

IUPAC5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]nc1N
InChIInChI=1S/C7H13N5O/c1-4(2)3-9-7(13)5-6(8)11-12-10-5/h4H,3H2,1-2H3,(H,9,13)(H3,8,10,11,12)
InChIKeyMIYJXQJAOQBOCO-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.23
Rot. Bonds3

About 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide

5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide (PubChem CID 110484770) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
PubChem CID110484770
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]nc1N
InChIInChI=1S/C7H13N5O/c1-4(2)3-9-7(13)5-6(8)11-12-10-5/h4H,3H2,1-2H3,(H,9,13)(H3,8,10,11,12)
InChIKeyMIYJXQJAOQBOCO-UHFFFAOYSA-N
XLogP-0.23
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide (CID 110484770) is 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide is CC(C)CNC(=O)c1n[nH]nc1N.
What is the InChIKey of 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide?
The InChIKey is MIYJXQJAOQBOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4(2)3-9-7(13)5-6(8)11-12-10-5/h4H,3H2,1-2H3,(H,9,13)(H3,8,10,11,12).
What are the key properties of 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide?
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide has a molecular weight of 183.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).