1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole

C13H12N6 — CID 74235739

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole
SMILESc1nc(-c2cn[nH]n2)n(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H12N6/c1-2-9-4-5-11(6-10(9)3-1)19-13(14-8-16-19)12-7-15-18-17-12/h4-8H,1-3H2,(H,15,17,18)
InChIKeyVZEIUSXTQDVWNA-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.54
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole

1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole (PubChem CID 74235739) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole
PubChem CID74235739
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole
SMILESc1nc(-c2cn[nH]n2)n(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H12N6/c1-2-9-4-5-11(6-10(9)3-1)19-13(14-8-16-19)12-7-15-18-17-12/h4-8H,1-3H2,(H,15,17,18)
InChIKeyVZEIUSXTQDVWNA-UHFFFAOYSA-N
XLogP1.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)-5-methyltriazolo[4,5-d]pyrimidine
CID 143261620
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrazolo[5,4-b]pyridine
CID 175852149
1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-amine
CID 79506398
[1-(2,3-dihydro-1H-inden-5-yl)-5-propan-2-yltriazol-4-yl]methanol
CID 94068903
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154903
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazol-3-yl]azepan-1-yl]-2-(tetrazol-1-yl)ethanone
CID 137339065
4-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702984
N-cyclopentyl-2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 3229008
3-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazole-2-thione
CID 81335011
N'-[2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanylacetyl]-2-methylpropanehydrazide
CID 3229015
1-(2,3-dihydro-1H-inden-5-yl)-4-(imidazol-1-ylmethyl)imidazole
CID 141054852
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione
CID 43236256

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole (CID 74235739) is 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole is c1nc(-c2cn[nH]n2)n(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
The InChIKey is VZEIUSXTQDVWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-2-9-4-5-11(6-10(9)3-1)19-13(14-8-16-19)12-7-15-18-17-12/h4-8H,1-3H2,(H,15,17,18).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole has a molecular weight of 252.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-5-(2H-triazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 74235739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).