1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine

C20H31N5 — CID 54594856

IUPAC1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCC(C)n1ncc2c1CCC(NC1CCc3c(cnn3C(C)C)C1)C2
InChIInChI=1S/C20H31N5/c1-13(2)24-19-7-5-17(9-15(19)11-21-24)23-18-6-8-20-16(10-18)12-22-25(20)14(3)4/h11-14,17-18,23H,5-10H2,1-4H3
InChIKeyWMOICTBMVHEMTR-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.25
Rot. Bonds4

About 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine

1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 54594856) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID54594856
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCC(C)n1ncc2c1CCC(NC1CCc3c(cnn3C(C)C)C1)C2
InChIInChI=1S/C20H31N5/c1-13(2)24-19-7-5-17(9-15(19)11-21-24)23-18-6-8-20-16(10-18)12-22-25(20)14(3)4/h11-14,17-18,23H,5-10H2,1-4H3
InChIKeyWMOICTBMVHEMTR-UHFFFAOYSA-N
XLogP3.25
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine (CID 54594856) is 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine is CC(C)n1ncc2c1CCC(NC1CCc3c(cnn3C(C)C)C1)C2.
What is the InChIKey of 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is WMOICTBMVHEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-13(2)24-19-7-5-17(9-15(19)11-21-24)23-18-6-8-20-16(10-18)12-22-25(20)14(3)4/h11-14,17-18,23H,5-10H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine?
1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 341.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 54594856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).