benzene-1,3-diamine;hydron

C6H9N2+ — CID 174403382

IUPACbenzene-1,3-diamine;hydron
SMILESNc1cccc(N)c1.[H+]
InChIInChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2/p+1
InChIKeyWZCQRUWWHSTZEM-UHFFFAOYSA-O
MW109.15 g/mol
LogP0.96
Rot. Bonds

About benzene-1,3-diamine;hydron

benzene-1,3-diamine;hydron (PubChem CID 174403382) has the molecular formula C6H9N2+ and a molecular weight of 109.15 g/mol. Its IUPAC name is benzene-1,3-diamine;hydron.

Molecular Properties

Compound Namebenzene-1,3-diamine;hydron
PubChem CID174403382
Molecular FormulaC6H9N2+
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Namebenzene-1,3-diamine;hydron
SMILESNc1cccc(N)c1.[H+]
InChIInChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2/p+1
InChIKeyWZCQRUWWHSTZEM-UHFFFAOYSA-O
XLogP0.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzene-1,3-diamine;hydron;dichloride
CID 74764421
benzene-1,3-diamine
CID 7935
benzene-1,3-diamine;zinc
CID 175999138
benzene-1,3-diamine;hydrate
CID 133188498
benzene-1,3-diamine;naphthalene-1,5-diamine
CID 139435132
benzene-1,3-diamine;benzene-1,4-diamine;benzene-1,2,4-triamine
CID 162067267
benzene-1,3-diamine;perchloric acid
CID 71405376
3-(3-aminophenyl)aniline;sulfane
CID 175159845
CID 141280926
CID 141280926
3-methylaniline
CID 7934
3-methylaniline chloride
CID 23334103
3-phosphanylaniline;hydrate
CID 172853905

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diamine;hydron?
The IUPAC name of benzene-1,3-diamine;hydron (CID 174403382) is benzene-1,3-diamine;hydron.
What is the SMILES notation for benzene-1,3-diamine;hydron?
The canonical SMILES for benzene-1,3-diamine;hydron is Nc1cccc(N)c1.[H+].
What is the InChIKey of benzene-1,3-diamine;hydron?
The InChIKey is WZCQRUWWHSTZEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2/p+1.
What are the key properties of benzene-1,3-diamine;hydron?
benzene-1,3-diamine;hydron has a molecular weight of 109.15 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diamine;hydron is sourced from PubChem (CID 174403382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).