hydron;isoquinoline-5-carbonitrile

C10H7N2+ — CID 174960346

IUPAChydron;isoquinoline-5-carbonitrile
SMILESN#Cc1cccc2cnccc12.[H+]
InChIInChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H/p+1
InChIKeyXVJDHUCBVHTPGE-UHFFFAOYSA-O
MW155.18 g/mol
LogP2.22
Rot. Bonds

About hydron;isoquinoline-5-carbonitrile

hydron;isoquinoline-5-carbonitrile (PubChem CID 174960346) has the molecular formula C10H7N2+ and a molecular weight of 155.18 g/mol. Its IUPAC name is hydron;isoquinoline-5-carbonitrile.

Molecular Properties

Compound Namehydron;isoquinoline-5-carbonitrile
PubChem CID174960346
Molecular FormulaC10H7N2+
Molecular Weight155.18 g/mol
Exact Mass155.06
IUPAC Namehydron;isoquinoline-5-carbonitrile
SMILESN#Cc1cccc2cnccc12.[H+]
InChIInChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H/p+1
InChIKeyXVJDHUCBVHTPGE-UHFFFAOYSA-O
XLogP2.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze hydron;isoquinoline-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-isoquinolin-5-ylprop-2-ynoic acid
CID 63640786
naphthalene-1-carbonitrile;sulfane
CID 175607355
5-(4-chlorobut-1-ynyl)isoquinoline
CID 62812625
4-bromo-2-(isoquinolin-5-ylamino)benzonitrile
CID 114901487
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
5-(2-ethynylphenyl)isoquinoline
CID 172649261
2-(5-aminoisoquinolin-6-yl)oxybenzonitrile
CID 106948597
N-ethyl-3-isoquinolin-5-ylprop-2-yn-1-amine
CID 114497852
isoquinoline-5-carbothialdehyde
CID 143050226
3,8-phenanthroline
CID 13064691
CID 159683901
CID 159683901
2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
CID 43808553

Frequently Asked Questions

What is the IUPAC name of hydron;isoquinoline-5-carbonitrile?
The IUPAC name of hydron;isoquinoline-5-carbonitrile (CID 174960346) is hydron;isoquinoline-5-carbonitrile.
What is the SMILES notation for hydron;isoquinoline-5-carbonitrile?
The canonical SMILES for hydron;isoquinoline-5-carbonitrile is N#Cc1cccc2cnccc12.[H+].
What is the InChIKey of hydron;isoquinoline-5-carbonitrile?
The InChIKey is XVJDHUCBVHTPGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H/p+1.
What are the key properties of hydron;isoquinoline-5-carbonitrile?
hydron;isoquinoline-5-carbonitrile has a molecular weight of 155.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;isoquinoline-5-carbonitrile is sourced from PubChem (CID 174960346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).