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7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C16H14N6 — CID 150584799

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1n[nH]nc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C16H14N6/c1-2-4-10-9(3-1)15-11-7-17-20-12(11)5-6-13(15)19-16(10)14-8-18-22-21-14/h5-8H,1-4H2,(H,17,20)(H,18,21,22)
InChIKeyIOPNYIOXLBPQAF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.78
Rot. Bonds1

About 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 150584799) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID150584799
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESc1n[nH]nc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
InChIInChI=1S/C16H14N6/c1-2-4-10-9(3-1)15-11-7-17-20-12(11)5-6-13(15)19-16(10)14-8-18-22-21-14/h5-8H,1-4H2,(H,17,20)(H,18,21,22)
InChIKeyIOPNYIOXLBPQAF-UHFFFAOYSA-N
XLogP2.78
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 150584799) is 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is c1n[nH]nc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is IOPNYIOXLBPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-2-4-10-9(3-1)15-11-7-17-20-12(11)5-6-13(15)19-16(10)14-8-18-22-21-14/h5-8H,1-4H2,(H,17,20)(H,18,21,22).
What are the key properties of 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 290.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 150584799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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