3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide

C9H17N5O2 — CID 79376768

IUPAC3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H17N5O2/c1-4-14(5-9(2,3)16)7(15)6-11-8(10)13-12-6/h16H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyJWUDREIHKXCXLY-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.38
Rot. Bonds4

About 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 79376768) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID79376768
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H17N5O2/c1-4-14(5-9(2,3)16)7(15)6-11-8(10)13-12-6/h16H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyJWUDREIHKXCXLY-UHFFFAOYSA-N
XLogP-0.38
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 79384969
3-amino-N,N-bis(2-ethoxyethyl)-1H-1,2,4-triazole-5-carboxamide
CID 82966075
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79386284
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79379584
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792993
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 111596654
3-amino-1H-1,2,4-triazole-5-carboxamide
CID 18707494
1-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)isoquinoline-3-carboxamide
CID 79380171
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 79385788

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide (CID 79376768) is 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide is CCN(CC(C)(C)O)C(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JWUDREIHKXCXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-4-14(5-9(2,3)16)7(15)6-11-8(10)13-12-6/h16H,4-5H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 227.27 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 79376768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).