3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

C17H24N6 — CID 138034571

IUPAC3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCn1c(-c2n[nH]c3c2CCCC3)nnc1N1CCCC2(CC2)C1
InChIInChI=1S/C17H24N6/c1-22-15(14-12-5-2-3-6-13(12)18-19-14)20-21-16(22)23-10-4-7-17(11-23)8-9-17/h2-11H2,1H3,(H,18,19)
InChIKeyRRCKZBZSPJMHFY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.46
Rot. Bonds2

About 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 138034571) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID138034571
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCn1c(-c2n[nH]c3c2CCCC3)nnc1N1CCCC2(CC2)C1
InChIInChI=1S/C17H24N6/c1-22-15(14-12-5-2-3-6-13(12)18-19-14)20-21-16(22)23-10-4-7-17(11-23)8-9-17/h2-11H2,1H3,(H,18,19)
InChIKeyRRCKZBZSPJMHFY-UHFFFAOYSA-N
XLogP2.46
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (CID 138034571) is 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is Cn1c(-c2n[nH]c3c2CCCC3)nnc1N1CCCC2(CC2)C1.
What is the InChIKey of 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is RRCKZBZSPJMHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-22-15(14-12-5-2-3-6-13(12)18-19-14)20-21-16(22)23-10-4-7-17(11-23)8-9-17/h2-11H2,1H3,(H,18,19).
What are the key properties of 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 312.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-azaspiro[2.5]octan-5-yl)-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 138034571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).