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

C9H17N5O — CID 115303347

IUPACN-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC(C)(C)N)n[nH]1
InChIInChI=1S/C9H17N5O/c1-4-6-12-7(14-13-6)8(15)11-5-9(2,3)10/h4-5,10H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyUTCDCEDJNKHWDG-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.17
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 115303347) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID115303347
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC(C)(C)N)n[nH]1
InChIInChI=1S/C9H17N5O/c1-4-6-12-7(14-13-6)8(15)11-5-9(2,3)10/h4-5,10H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyUTCDCEDJNKHWDG-UHFFFAOYSA-N
XLogP-0.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
N-(2-amino-2-oxoethoxy)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 112674372
N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114137118
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
3-[[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 81063659
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
5-ethyl-N-[(1-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114095110
5-ethyl-N-(2-pyrrol-1-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106391218
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 105420046
N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114101659
5-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 81131094

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 115303347) is N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC(C)(C)N)n[nH]1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is UTCDCEDJNKHWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-6-12-7(14-13-6)8(15)11-5-9(2,3)10/h4-5,10H2,1-3H3,(H,11,15)(H,12,13,14).
What are the key properties of N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 211.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 115303347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).