(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine

C14H15N3 — CID 10537192

IUPAC(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine
SMILESc1ccc2c(c1)CN[C@@H]1Cc3cn[nH]c3C[C@@H]21
InChIInChI=1S/C14H15N3/c1-2-4-11-9(3-1)7-15-14-5-10-8-16-17-13(10)6-12(11)14/h1-4,8,12,14-15H,5-7H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyAJFYLTMGDGJNDW-GXTWGEPZSA-N
MW225.30 g/mol
LogP1.76
Rot. Bonds

About (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine

(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine (PubChem CID 10537192) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine.

Molecular Properties

Compound Name(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine
PubChem CID10537192
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine
SMILESc1ccc2c(c1)CN[C@@H]1Cc3cn[nH]c3C[C@@H]21
InChIInChI=1S/C14H15N3/c1-2-4-11-9(3-1)7-15-14-5-10-8-16-17-13(10)6-12(11)14/h1-4,8,12,14-15H,5-7H2,(H,16,17)/t12-,14+/m0/s1
InChIKeyAJFYLTMGDGJNDW-GXTWGEPZSA-N
XLogP1.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine?
The IUPAC name of (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine (CID 10537192) is (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine.
What is the SMILES notation for (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine?
The canonical SMILES for (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine is c1ccc2c(c1)CN[C@@H]1Cc3cn[nH]c3C[C@@H]21.
What is the InChIKey of (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine?
The InChIKey is AJFYLTMGDGJNDW-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-4-11-9(3-1)7-15-14-5-10-8-16-17-13(10)6-12(11)14/h1-4,8,12,14-15H,5-7H2,(H,16,17)/t12-,14+/m0/s1.
What are the key properties of (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine?
(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine has a molecular weight of 225.30 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine is sourced from PubChem (CID 10537192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).