[amino-(3-aminophenyl)methylidene]azanium

C7H10N3+ — CID 6931095

IUPAC[amino-(3-aminophenyl)methylidene]azanium
SMILESNC(=[NH2+])c1cccc(N)c1
InChIInChI=1S/C7H9N3/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1
InChIKeyVWDSNVUXQDDXBN-UHFFFAOYSA-O
MW136.18 g/mol
LogP-1.27
Rot. Bonds1

About [amino-(3-aminophenyl)methylidene]azanium

[amino-(3-aminophenyl)methylidene]azanium (PubChem CID 6931095) has the molecular formula C7H10N3+ and a molecular weight of 136.18 g/mol. Its IUPAC name is [amino-(3-aminophenyl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(3-aminophenyl)methylidene]azanium
PubChem CID6931095
Molecular FormulaC7H10N3+
Molecular Weight136.18 g/mol
Exact Mass136.09
IUPAC Name[amino-(3-aminophenyl)methylidene]azanium
SMILESNC(=[NH2+])c1cccc(N)c1
InChIInChI=1S/C7H9N3/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1
InChIKeyVWDSNVUXQDDXBN-UHFFFAOYSA-O
XLogP-1.27
TPSA77.63 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3-aminobenzoyl)azanium
CID 142343873
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-aminobenzoic acid;azane
CID 159954068
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium
CID 7084133
(3-aminophenyl)-phenylmethanone
CID 17817
cesium 3-aminobenzoate
CID 134897140
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817

Frequently Asked Questions

What is the IUPAC name of [amino-(3-aminophenyl)methylidene]azanium?
The IUPAC name of [amino-(3-aminophenyl)methylidene]azanium (CID 6931095) is [amino-(3-aminophenyl)methylidene]azanium.
What is the SMILES notation for [amino-(3-aminophenyl)methylidene]azanium?
The canonical SMILES for [amino-(3-aminophenyl)methylidene]azanium is NC(=[NH2+])c1cccc(N)c1.
What is the InChIKey of [amino-(3-aminophenyl)methylidene]azanium?
The InChIKey is VWDSNVUXQDDXBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N3/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1.
What are the key properties of [amino-(3-aminophenyl)methylidene]azanium?
[amino-(3-aminophenyl)methylidene]azanium has a molecular weight of 136.18 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3-aminophenyl)methylidene]azanium is sourced from PubChem (CID 6931095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).