N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide

C7H13N5 — CID 130723743

IUPACN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide
SMILESCCn1ncnc1C/N=C(\C)N
InChIInChI=1S/C7H13N5/c1-3-12-7(10-5-11-12)4-9-6(2)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyWLNFKFOTFMHQJD-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.18
Rot. Bonds3

About N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide

N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide (PubChem CID 130723743) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide
PubChem CID130723743
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide
SMILESCCn1ncnc1C/N=C(\C)N
InChIInChI=1S/C7H13N5/c1-3-12-7(10-5-11-12)4-9-6(2)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyWLNFKFOTFMHQJD-UHFFFAOYSA-N
XLogP0.18
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 120663168
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663185
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
1-(2-ethyl-1,2,4-triazol-3-yl)-3-hydroxybutan-2-one
CID 103451467
2-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 120762688
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-hydroxypentan-2-one
CID 103343849
6-amino-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-one
CID 116572036
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62694920

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide?
The IUPAC name of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide (CID 130723743) is N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide?
The canonical SMILES for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide is CCn1ncnc1C/N=C(\C)N.
What is the InChIKey of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide?
The InChIKey is WLNFKFOTFMHQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-12-7(10-5-11-12)4-9-6(2)8/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide?
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide has a molecular weight of 167.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanimidamide is sourced from PubChem (CID 130723743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).