3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole

C15H17N3 — CID 95129312

IUPAC3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole
SMILESc1ccc2c(c1)CC[C@H]2Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C15H17N3/c1-2-4-13-10(3-1)5-8-12(13)9-14-16-15(18-17-14)11-6-7-11/h1-4,11-12H,5-9H2,(H,16,17,18)/t12-/m0/s1
InChIKeyFQDZGKZKFSHOIU-LBPRGKRZSA-N
MW239.32 g/mol
LogP2.95
Rot. Bonds3

About 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole

3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole (PubChem CID 95129312) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole
PubChem CID95129312
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole
SMILESc1ccc2c(c1)CC[C@H]2Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C15H17N3/c1-2-4-13-10(3-1)5-8-12(13)9-14-16-15(18-17-14)11-6-7-11/h1-4,11-12H,5-9H2,(H,16,17,18)/t12-/m0/s1
InChIKeyFQDZGKZKFSHOIU-LBPRGKRZSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole with MolForge

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Related Compounds

3-cyclopropyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338115
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
3-cyclopropyl-5-(phenoxymethyl)-1H-1,2,4-triazole
CID 61336550
1-ethyl-2,3-dihydro-1H-indene
CID 20971
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 61338923
1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene
CID 147654820
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]azepane
CID 84686106
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline
CID 53264447
4-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethoxy]piperidine
CID 55251328
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
5-[(3-chlorophenoxy)methyl]-3-cyclopropyl-1H-1,2,4-triazole
CID 62228354

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole (CID 95129312) is 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole is c1ccc2c(c1)CC[C@H]2Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole?
The InChIKey is FQDZGKZKFSHOIU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-4-13-10(3-1)5-8-12(13)9-14-16-15(18-17-14)11-6-7-11/h1-4,11-12H,5-9H2,(H,16,17,18)/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole?
3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole has a molecular weight of 239.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 95129312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).