7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine

C8H10N6 — CID 91238054

IUPAC7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine
SMILESNC1CCc2cn3nnnnc3c2C1
InChIInChI=1S/C8H10N6/c9-6-2-1-5-4-14-8(7(5)3-6)10-11-12-13-14/h4,6H,1-3,9H2
InChIKeyNVWUSCZYZNTZPN-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.66
Rot. Bonds

About 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine

7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine (PubChem CID 91238054) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine.

Molecular Properties

Compound Name7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine
PubChem CID91238054
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine
SMILESNC1CCc2cn3nnnnc3c2C1
InChIInChI=1S/C8H10N6/c9-6-2-1-5-4-14-8(7(5)3-6)10-11-12-13-14/h4,6H,1-3,9H2
InChIKeyNVWUSCZYZNTZPN-UHFFFAOYSA-N
XLogP-0.66
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine?
The IUPAC name of 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine (CID 91238054) is 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine.
What is the SMILES notation for 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine?
The canonical SMILES for 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine is NC1CCc2cn3nnnnc3c2C1.
What is the InChIKey of 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine?
The InChIKey is NVWUSCZYZNTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c9-6-2-1-5-4-14-8(7(5)3-6)10-11-12-13-14/h4,6H,1-3,9H2.
What are the key properties of 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine?
7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine has a molecular weight of 190.21 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydropentazino[6,1-a]isoindol-9-amine is sourced from PubChem (CID 91238054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).