3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole

C13H17N5 — CID 50962522

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1
InChIInChI=1S/C13H17N5/c1-7-2-5-10-9(6-7)11(16-15-10)13-14-12(17-18-13)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyZFQXVNJEDGGMME-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds2

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 50962522) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID50962522
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1
InChIInChI=1S/C13H17N5/c1-7-2-5-10-9(6-7)11(16-15-10)13-14-12(17-18-13)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyZFQXVNJEDGGMME-UHFFFAOYSA-N
XLogP2.20
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole (CID 50962522) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole is CC1CCc2[nH]nc(-c3n[nH]c(C4CC4)n3)c2C1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is ZFQXVNJEDGGMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-7-2-5-10-9(6-7)11(16-15-10)13-14-12(17-18-13)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,16)(H,14,17,18).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 243.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 50962522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).