3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide

C11H21N5O — CID 62808107

IUPAC3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H21N5O/c1-10(2,3)6-11(4,5)14-8(17)7-13-9(12)16-15-7/h6H2,1-5H3,(H,14,17)(H3,12,13,15,16)
InChIKeyUOINLHUOJLTIDG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.33
Rot. Bonds3

About 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808107) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808107
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C11H21N5O/c1-10(2,3)6-11(4,5)14-8(17)7-13-9(12)16-15-7/h6H2,1-5H3,(H,14,17)(H3,12,13,15,16)
InChIKeyUOINLHUOJLTIDG-UHFFFAOYSA-N
XLogP1.33
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62808107) is 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UOINLHUOJLTIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10(2,3)6-11(4,5)14-8(17)7-13-9(12)16-15-7/h6H2,1-5H3,(H,14,17)(H3,12,13,15,16).
What are the key properties of 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).