5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole

C14H18N4 — CID 82513455

IUPAC5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
SMILESCc1nc(C(C)C)nn1-c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N4/c1-9(2)14-16-10(3)18(17-14)12-4-5-13-11(8-12)6-7-15-13/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyXVURNCQESWKQRZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.67
Rot. Bonds2

About 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole

5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole (PubChem CID 82513455) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
PubChem CID82513455
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole
SMILESCc1nc(C(C)C)nn1-c1ccc2c(c1)CCN2
InChIInChI=1S/C14H18N4/c1-9(2)14-16-10(3)18(17-14)12-4-5-13-11(8-12)6-7-15-13/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyXVURNCQESWKQRZ-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
CID 142960581
5-(2,4-dimethylimidazol-1-yl)-2,3-dihydro-1H-indole
CID 82512522
4-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid
CID 82513581
6-(2,4-dimethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82512894
6-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224527
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
6-indazol-1-yl-1,2,3,4-tetrahydroquinoline
CID 81224217
5-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62722122
1-(2,4-dichlorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
CID 123784071
6-(4-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224912
4-(2,3-dihydro-1H-indol-5-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 63252742

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole (CID 82513455) is 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole is Cc1nc(C(C)C)nn1-c1ccc2c(c1)CCN2.
What is the InChIKey of 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
The InChIKey is XVURNCQESWKQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(2)14-16-10(3)18(17-14)12-4-5-13-11(8-12)6-7-15-13/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole?
5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole has a molecular weight of 242.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 82513455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).