[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium

C8H13N5+2 — CID 7084133

IUPAC[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1cc(N)cc(C(N)=[NH2+])c1
InChIInChI=1S/C8H11N5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H3,10,11)(H3,12,13)/p+2
InChIKeyNXRMVZVLPARCIB-UHFFFAOYSA-P
MW179.23 g/mol
LogP-3.80
Rot. Bonds2

About [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium

[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium (PubChem CID 7084133) has the molecular formula C8H13N5+2 and a molecular weight of 179.23 g/mol. Its IUPAC name is [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium
PubChem CID7084133
Molecular FormulaC8H13N5+2
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1cc(N)cc(C(N)=[NH2+])c1
InChIInChI=1S/C8H11N5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H3,10,11)(H3,12,13)/p+2
InChIKeyNXRMVZVLPARCIB-UHFFFAOYSA-P
XLogP-3.80
TPSA129.24 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-3.80
H-Bond Donors ≤ 55
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

[amino-(3-aminophenyl)methylidene]azanium
CID 6931095
[amino-(4-aminophenyl)methylidene]azanium
CID 3289295
5-aminobenzene-1,3-dicarboxylic acid;zinc
CID 174938502
disodium;5-aminobenzene-1,3-dicarboxylic acid;hydride
CID 173081060
azanium 3-amino-5-carbamoylbenzoate
CID 135371031
5-aminobenzene-1,3-dicarboxylic acid;benzene-1,4-diamine
CID 142851105
3,5-diaminobenzoic acid;hydrochloride
CID 43835047
CID 102093735
CID 102093735
3-amino-5-carbonoperoxoylbenzoic acid
CID 58876276
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
3-amino-5-(methylideneamino)benzamide
CID 163443959
dipropyl 5-aminobenzene-1,3-dicarboxylate
CID 71344952

Frequently Asked Questions

What is the IUPAC name of [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium?
The IUPAC name of [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium (CID 7084133) is [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium.
What is the SMILES notation for [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium?
The canonical SMILES for [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium is NC(=[NH2+])c1cc(N)cc(C(N)=[NH2+])c1.
What is the InChIKey of [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium?
The InChIKey is NXRMVZVLPARCIB-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H11N5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H3,10,11)(H3,12,13)/p+2.
What are the key properties of [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium?
[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium has a molecular weight of 179.23 g/mol, XLogP of -3.80, 2 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium is sourced from PubChem (CID 7084133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).