2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol

C14H20N4O — CID 62117770

IUPAC2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1C(C)c1nncn1C)CCCC2O
InChIInChI=1S/C14H20N4O/c1-9-7-11-12(5-4-6-13(11)19)18(9)10(2)14-16-15-8-17(14)3/h7-8,10,13,19H,4-6H2,1-3H3
InChIKeyYITPLHWFMJHHKG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.90
Rot. Bonds2

About 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol

2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 62117770) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
PubChem CID62117770
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1C(C)c1nncn1C)CCCC2O
InChIInChI=1S/C14H20N4O/c1-9-7-11-12(5-4-6-13(11)19)18(9)10(2)14-16-15-8-17(14)3/h7-8,10,13,19H,4-6H2,1-3H3
InChIKeyYITPLHWFMJHHKG-UHFFFAOYSA-N
XLogP1.90
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 62198989
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-4,5,6,7-tetrahydroindol-4-ol
CID 62639905
2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63959133
trans-(1R,2R)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclohexan-1-ol
CID 102731179
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 55037793
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83207793
2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
CID 84718398
6-bicyclo[3.1.0]hexanyl-(4-methyl-1,2,4-triazol-3-yl)methanol
CID 130758262
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 106407948
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015
1-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089859
1-(2-ethylhexyl)-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 107817925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol (CID 62117770) is 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol is Cc1cc2c(n1C(C)c1nncn1C)CCCC2O.
What is the InChIKey of 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is YITPLHWFMJHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-7-11-12(5-4-6-13(11)19)18(9)10(2)14-16-15-8-17(14)3/h7-8,10,13,19H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 260.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 62117770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).