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

C13H19N5 — CID 55037793

IUPAC2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1Cc1nncn1C)CCCC2N
InChIInChI=1S/C13H19N5/c1-9-6-10-11(14)4-3-5-12(10)18(9)7-13-16-15-8-17(13)2/h6,8,11H,3-5,7,14H2,1-2H3
InChIKeyPEEWFRBFKCQXFB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.31
Rot. Bonds2

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

2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 55037793) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID55037793
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1Cc1nncn1C)CCCC2N
InChIInChI=1S/C13H19N5/c1-9-6-10-11(14)4-3-5-12(10)18(9)7-13-16-15-8-17(13)2/h6,8,11H,3-5,7,14H2,1-2H3
InChIKeyPEEWFRBFKCQXFB-UHFFFAOYSA-N
XLogP1.31
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (CID 55037793) is 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1Cc1nncn1C)CCCC2N.
What is the InChIKey of 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is PEEWFRBFKCQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-6-10-11(14)4-3-5-12(10)18(9)7-13-16-15-8-17(13)2/h6,8,11H,3-5,7,14H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 55037793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).