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

C12H17N5 — CID 62117772

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCn1cnnc1Cn1ccc2c1CCCC2N
InChIInChI=1S/C12H17N5/c1-16-8-14-15-12(16)7-17-6-5-9-10(13)3-2-4-11(9)17/h5-6,8,10H,2-4,7,13H2,1H3
InChIKeyAUKSDDUYRZOORQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.00
Rot. Bonds2

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

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 62117772) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID62117772
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCn1cnnc1Cn1ccc2c1CCCC2N
InChIInChI=1S/C12H17N5/c1-16-8-14-15-12(16)7-17-6-5-9-10(13)3-2-4-11(9)17/h5-6,8,10H,2-4,7,13H2,1H3
InChIKeyAUKSDDUYRZOORQ-UHFFFAOYSA-N
XLogP1.00
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (CID 62117772) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is Cn1cnnc1Cn1ccc2c1CCCC2N.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is AUKSDDUYRZOORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-8-14-15-12(16)7-17-6-5-9-10(13)3-2-4-11(9)17/h5-6,8,10H,2-4,7,13H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 62117772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).