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

C13H20N6 — CID 55201521

IUPAC1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cnnc1CCNC1CCCc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-18-9-15-17-13(18)6-7-14-11-4-3-5-12-10(11)8-16-19(12)2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyTXEGISDNBUSCAQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.76
Rot. Bonds4

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

1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 55201521) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID55201521
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cnnc1CCNC1CCCc2c1cnn2C
InChIInChI=1S/C13H20N6/c1-18-9-15-17-13(18)6-7-14-11-4-3-5-12-10(11)8-16-19(12)2/h8-9,11,14H,3-7H2,1-2H3
InChIKeyTXEGISDNBUSCAQ-UHFFFAOYSA-N
XLogP0.76
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 55201521) is 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1cnnc1CCNC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is TXEGISDNBUSCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18-9-15-17-13(18)6-7-14-11-4-3-5-12-10(11)8-16-19(12)2/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 260.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 55201521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).