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

C16H24N6 — CID 72864272

IUPAC3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCc1nc(-c2n[nH]c3c2CCCC3)n(C2CCN(C)CC2)n1
InChIInChI=1S/C16H24N6/c1-11-17-16(15-13-5-3-4-6-14(13)18-19-15)22(20-11)12-7-9-21(2)10-8-12/h12H,3-10H2,1-2H3,(H,18,19)
InChIKeyRJLGTYJHSKWSSC-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.12
Rot. Bonds2

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

3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 72864272) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID72864272
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCc1nc(-c2n[nH]c3c2CCCC3)n(C2CCN(C)CC2)n1
InChIInChI=1S/C16H24N6/c1-11-17-16(15-13-5-3-4-6-14(13)18-19-15)22(20-11)12-7-9-21(2)10-8-12/h12H,3-10H2,1-2H3,(H,18,19)
InChIKeyRJLGTYJHSKWSSC-UHFFFAOYSA-N
XLogP2.12
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (CID 72864272) is 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is Cc1nc(-c2n[nH]c3c2CCCC3)n(C2CCN(C)CC2)n1.
What is the InChIKey of 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is RJLGTYJHSKWSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-11-17-16(15-13-5-3-4-6-14(13)18-19-15)22(20-11)12-7-9-21(2)10-8-12/h12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 300.41 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 72864272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).