4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide

C10H19N5O2 — CID 14653429

IUPAC4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCc1nn(C(=O)NC(C)(C)C)c(=O)n1N
InChIInChI=1S/C10H19N5O2/c1-5-6-7-13-15(9(17)14(7)11)8(16)12-10(2,3)4/h5-6,11H2,1-4H3,(H,12,16)
InChIKeyBRJMNDQYIMJVNC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.07
Rot. Bonds2

About 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide

4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide (PubChem CID 14653429) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide
PubChem CID14653429
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCc1nn(C(=O)NC(C)(C)C)c(=O)n1N
InChIInChI=1S/C10H19N5O2/c1-5-6-7-13-15(9(17)14(7)11)8(16)12-10(2,3)4/h5-6,11H2,1-4H3,(H,12,16)
InChIKeyBRJMNDQYIMJVNC-UHFFFAOYSA-N
XLogP0.07
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide (CID 14653429) is 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide is CCCc1nn(C(=O)NC(C)(C)C)c(=O)n1N.
What is the InChIKey of 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
The InChIKey is BRJMNDQYIMJVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-5-6-7-13-15(9(17)14(7)11)8(16)12-10(2,3)4/h5-6,11H2,1-4H3,(H,12,16).
What are the key properties of 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14653429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).