2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine

C27H27N7 — CID 123359845

IUPAC2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine
SMILESc1ccc2nn(CCN(CCn3cc4ccccc4n3)CCn3cc4ccccc4n3)cc2c1
InChIInChI=1S/C27H27N7/c1-4-10-25-22(7-1)19-32(28-25)16-13-31(14-17-33-20-23-8-2-5-11-26(23)29-33)15-18-34-21-24-9-3-6-12-27(24)30-34/h1-12,19-21H,13-18H2
InChIKeyRXYKZEVYWZDIGD-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.44
Rot. Bonds9

About 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine

2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine (PubChem CID 123359845) has the molecular formula C27H27N7 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine
PubChem CID123359845
Molecular FormulaC27H27N7
Molecular Weight449.56 g/mol
Exact Mass449.23
IUPAC Name2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine
SMILESc1ccc2nn(CCN(CCn3cc4ccccc4n3)CCn3cc4ccccc4n3)cc2c1
InChIInChI=1S/C27H27N7/c1-4-10-25-22(7-1)19-32(28-25)16-13-31(14-17-33-20-23-8-2-5-11-26(23)29-33)15-18-34-21-24-9-3-6-12-27(24)30-34/h1-12,19-21H,13-18H2
InChIKeyRXYKZEVYWZDIGD-UHFFFAOYSA-N
XLogP4.44
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine?
The IUPAC name of 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine (CID 123359845) is 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine.
What is the SMILES notation for 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine?
The canonical SMILES for 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine is c1ccc2nn(CCN(CCn3cc4ccccc4n3)CCn3cc4ccccc4n3)cc2c1.
What is the InChIKey of 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine?
The InChIKey is RXYKZEVYWZDIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7/c1-4-10-25-22(7-1)19-32(28-25)16-13-31(14-17-33-20-23-8-2-5-11-26(23)29-33)15-18-34-21-24-9-3-6-12-27(24)30-34/h1-12,19-21H,13-18H2.
What are the key properties of 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine?
2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine has a molecular weight of 449.56 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-2-yl-N,N-bis(2-indazol-2-ylethyl)ethanamine is sourced from PubChem (CID 123359845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).