4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide

C10H21N5O — CID 15451964

IUPAC4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide
SMILESCC(C)C1=NN(C(=O)NC(C)(C)C)CN1N
InChIInChI=1S/C10H21N5O/c1-7(2)8-13-15(6-14(8)11)9(16)12-10(3,4)5/h7H,6,11H2,1-5H3,(H,12,16)
InChIKeyLOOGFKMEGCKMRK-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.91
Rot. Bonds1

About 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide

4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide (PubChem CID 15451964) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide
PubChem CID15451964
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide
SMILESCC(C)C1=NN(C(=O)NC(C)(C)C)CN1N
InChIInChI=1S/C10H21N5O/c1-7(2)8-13-15(6-14(8)11)9(16)12-10(3,4)5/h7H,6,11H2,1-5H3,(H,12,16)
InChIKeyLOOGFKMEGCKMRK-UHFFFAOYSA-N
XLogP0.91
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide?
The IUPAC name of 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide (CID 15451964) is 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide.
What is the SMILES notation for 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide?
The canonical SMILES for 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide is CC(C)C1=NN(C(=O)NC(C)(C)C)CN1N.
What is the InChIKey of 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide?
The InChIKey is LOOGFKMEGCKMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-7(2)8-13-15(6-14(8)11)9(16)12-10(3,4)5/h7H,6,11H2,1-5H3,(H,12,16).
What are the key properties of 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide?
4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-5-propan-2-yl-3H-1,2,4-triazole-2-carboxamide is sourced from PubChem (CID 15451964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).