N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide

C8H13N5 — CID 163513032

IUPACN'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide
SMILESC=C(C)n1nc(C)nc1N=C(C)N
InChIInChI=1S/C8H13N5/c1-5(2)13-8(10-6(3)9)11-7(4)12-13/h1H2,2-4H3,(H2,9,10,11,12)
InChIKeyDEIAXROSRKPNQR-UHFFFAOYSA-N
MW179.23 g/mol
LogP1.09
Rot. Bonds2

About N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide

N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide (PubChem CID 163513032) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide
PubChem CID163513032
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide
SMILESC=C(C)n1nc(C)nc1N=C(C)N
InChIInChI=1S/C8H13N5/c1-5(2)13-8(10-6(3)9)11-7(4)12-13/h1H2,2-4H3,(H2,9,10,11,12)
InChIKeyDEIAXROSRKPNQR-UHFFFAOYSA-N
XLogP1.09
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 51.09
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'}

Analyze N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dimethyl-4-prop-1-en-2-yl-1,2,4-triazole
CID 142624300
3,5-Dimethyl-1-prop-1-en-2-yl-1,2,4-triazole
CID 164110962
3-[(2-Ethyl-5-methyl-1,2,4-triazol-3-yl)imino]prop-1-en-2-amine
CID 174061424

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide?
The IUPAC name of N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide (CID 163513032) is N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide.
What is the SMILES notation for N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide?
The canonical SMILES for N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide is C=C(C)n1nc(C)nc1N=C(C)N.
What is the InChIKey of N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide?
The InChIKey is DEIAXROSRKPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-5(2)13-8(10-6(3)9)11-7(4)12-13/h1H2,2-4H3,(H2,9,10,11,12).
What are the key properties of N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide?
N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide has a molecular weight of 179.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide is sourced from PubChem (CID 163513032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).