1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine

C14H18N6 — CID 119118251

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
SMILESN/C(=N\CCn1cncn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N6/c15-14(17-6-7-20-10-16-9-18-20)19-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-10H,1-3,6-7H2,(H3,15,17,19)
InChIKeyALUFULDBCHDOQN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.19
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine (PubChem CID 119118251) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
PubChem CID119118251
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
SMILESN/C(=N\CCn1cncn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N6/c15-14(17-6-7-20-10-16-9-18-20)19-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-10H,1-3,6-7H2,(H3,15,17,19)
InChIKeyALUFULDBCHDOQN-UHFFFAOYSA-N
XLogP1.19
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.19
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-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111071811
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812489
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111057218
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine;hydroiodide
CID 119159418
2-but-3-ynyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 119147795
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772
2-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122097572
2-[3-(benzimidazol-1-yl)propyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111032862
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
CID 111057548
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-hydroxyethoxy)propyl]guanidine
CID 110018612

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine (CID 119118251) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine is N/C(=N\CCn1cncn1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The InChIKey is ALUFULDBCHDOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-14(17-6-7-20-10-16-9-18-20)19-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-10H,1-3,6-7H2,(H3,15,17,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine has a molecular weight of 270.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 119118251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).