3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole

C18H20N6 — CID 156661602

IUPAC3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESc1ncc(-c2n[nH]c3c2CCCC3)nc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H20N6/c1-3-7-13-11(5-1)17(23-21-13)15-9-19-10-16(20-15)18-12-6-2-4-8-14(12)22-24-18/h9-10H,1-8H2,(H,21,23)(H,22,24)
InChIKeyNZBRQQXCHXEEIY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.01
Rot. Bonds2

About 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole

3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 156661602) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID156661602
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESc1ncc(-c2n[nH]c3c2CCCC3)nc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H20N6/c1-3-7-13-11(5-1)17(23-21-13)15-9-19-10-16(20-15)18-12-6-2-4-8-14(12)22-24-18/h9-10H,1-8H2,(H,21,23)(H,22,24)
InChIKeyNZBRQQXCHXEEIY-UHFFFAOYSA-N
XLogP3.01
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole (CID 156661602) is 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole is c1ncc(-c2n[nH]c3c2CCCC3)nc1-c1n[nH]c2c1CCCC2.
What is the InChIKey of 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is NZBRQQXCHXEEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-3-7-13-11(5-1)17(23-21-13)15-9-19-10-16(20-15)18-12-6-2-4-8-14(12)22-24-18/h9-10H,1-8H2,(H,21,23)(H,22,24).
What are the key properties of 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole?
3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 320.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 156661602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).