1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine

C11H20N6 — CID 119151747

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCn1cncn1)NC1CC1C
InChIInChI=1S/C11H20N6/c1-3-13-11(16-10-6-9(10)2)14-4-5-17-8-12-7-15-17/h7-10H,3-6H2,1-2H3,(H2,13,14,16)
InChIKeyDYPWVEVDVANQAS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.24
Rot. Bonds5

About 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine (PubChem CID 119151747) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
PubChem CID119151747
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCn1cncn1)NC1CC1C
InChIInChI=1S/C11H20N6/c1-3-13-11(16-10-6-9(10)2)14-4-5-17-8-12-7-15-17/h7-10H,3-6H2,1-2H3,(H2,13,14,16)
InChIKeyDYPWVEVDVANQAS-UHFFFAOYSA-N
XLogP0.24
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
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

1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111961887
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961064
1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine
CID 111587997
2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111962905
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111961689
1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111961791
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
CID 111961971
1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952321
1-ethyl-3-(4-methylcyclohexyl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111257175
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 119141972
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111961961
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
CID 111961317

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine (CID 119151747) is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine is CCN/C(=N\CCn1cncn1)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The InChIKey is DYPWVEVDVANQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-3-13-11(16-10-6-9(10)2)14-4-5-17-8-12-7-15-17/h7-10H,3-6H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine has a molecular weight of 236.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 119151747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).