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

C11H21N5O — CID 110484968

IUPAC5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1n[nH]nc1N
InChIInChI=1S/C11H21N5O/c1-10(2,3)6-11(4,5)13-9(17)7-8(12)15-16-14-7/h6H2,1-5H3,(H,13,17)(H3,12,14,15,16)
InChIKeyRBXRCAPBEKAGGN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.33
Rot. Bonds3

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

5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide (PubChem CID 110484968) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide
PubChem CID110484968
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1n[nH]nc1N
InChIInChI=1S/C11H21N5O/c1-10(2,3)6-11(4,5)13-9(17)7-8(12)15-16-14-7/h6H2,1-5H3,(H,13,17)(H3,12,14,15,16)
InChIKeyRBXRCAPBEKAGGN-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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Related Compounds

4-amino-5-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 55033955
3-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808107
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
CID 110484770
4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 55178217
4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664607
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 55041629
5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
CID 110484902
5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide
CID 110485033
5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 110484935
4-[(5-amino-2H-triazole-4-carbonyl)amino]benzoic acid
CID 110484878
5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide
CID 110484750
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide (CID 110484968) is 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide is CC(C)(C)CC(C)(C)NC(=O)c1n[nH]nc1N.
What is the InChIKey of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide?
The InChIKey is RBXRCAPBEKAGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10(2,3)6-11(4,5)13-9(17)7-8(12)15-16-14-7/h6H2,1-5H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide?
5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-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 5-amino-N-(2,4,4-trimethylpentan-2-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).