2H-triazolo[4,5-c]isoquinolin-5-amine

C9H7N5 — CID 175853907

IUPAC2H-triazolo[4,5-c]isoquinolin-5-amine
SMILESNc1nc2n[nH]nc2c2ccccc12
InChIInChI=1S/C9H7N5/c10-8-6-4-2-1-3-5(6)7-9(11-8)13-14-12-7/h1-4H,(H3,10,11,12,13,14)
InChIKeyRSMIZFOUUIHPPK-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.09
Rot. Bonds

About 2H-triazolo[4,5-c]isoquinolin-5-amine

2H-triazolo[4,5-c]isoquinolin-5-amine (PubChem CID 175853907) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2H-triazolo[4,5-c]isoquinolin-5-amine.

Molecular Properties

Compound Name2H-triazolo[4,5-c]isoquinolin-5-amine
PubChem CID175853907
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name2H-triazolo[4,5-c]isoquinolin-5-amine
SMILESNc1nc2n[nH]nc2c2ccccc12
InChIInChI=1S/C9H7N5/c10-8-6-4-2-1-3-5(6)7-9(11-8)13-14-12-7/h1-4H,(H3,10,11,12,13,14)
InChIKeyRSMIZFOUUIHPPK-UHFFFAOYSA-N
XLogP1.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-triazolo[4,5-c]isoquinolin-5-amine?
The IUPAC name of 2H-triazolo[4,5-c]isoquinolin-5-amine (CID 175853907) is 2H-triazolo[4,5-c]isoquinolin-5-amine.
What is the SMILES notation for 2H-triazolo[4,5-c]isoquinolin-5-amine?
The canonical SMILES for 2H-triazolo[4,5-c]isoquinolin-5-amine is Nc1nc2n[nH]nc2c2ccccc12.
What is the InChIKey of 2H-triazolo[4,5-c]isoquinolin-5-amine?
The InChIKey is RSMIZFOUUIHPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-8-6-4-2-1-3-5(6)7-9(11-8)13-14-12-7/h1-4H,(H3,10,11,12,13,14).
What are the key properties of 2H-triazolo[4,5-c]isoquinolin-5-amine?
2H-triazolo[4,5-c]isoquinolin-5-amine has a molecular weight of 185.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazolo[4,5-c]isoquinolin-5-amine is sourced from PubChem (CID 175853907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).