[amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride

C7H12ClN5O — CID 135624049

IUPAC[amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride
SMILESNC(N)=N/C(N)=[NH+]/Cc1ccco1.[Cl-]
InChIInChI=1S/C7H11N5O.ClH/c8-6(9)12-7(10)11-4-5-2-1-3-13-5;/h1-3H,4H2,(H6,8,9,10,11,12);1H
InChIKeySTJVRASUZAYULW-UHFFFAOYSA-N
MW217.66 g/mol
LogP-5.55
Rot. Bonds2

About [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride

[amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride (PubChem CID 135624049) has the molecular formula C7H12ClN5O and a molecular weight of 217.66 g/mol. Its IUPAC name is [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride.

Molecular Properties

Compound Name[amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride
PubChem CID135624049
Molecular FormulaC7H12ClN5O
Molecular Weight217.66 g/mol
Exact Mass217.07
IUPAC Name[amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride
SMILESNC(N)=N/C(N)=[NH+]/Cc1ccco1.[Cl-]
InChIInChI=1S/C7H11N5O.ClH/c8-6(9)12-7(10)11-4-5-2-1-3-13-5;/h1-3H,4H2,(H6,8,9,10,11,12);1H
InChIKeySTJVRASUZAYULW-UHFFFAOYSA-N
XLogP-5.55
TPSA117.53 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-5.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride?
The IUPAC name of [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride (CID 135624049) is [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride.
What is the SMILES notation for [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride?
The canonical SMILES for [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride is NC(N)=N/C(N)=[NH+]/Cc1ccco1.[Cl-].
What is the InChIKey of [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride?
The InChIKey is STJVRASUZAYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.ClH/c8-6(9)12-7(10)11-4-5-2-1-3-13-5;/h1-3H,4H2,(H6,8,9,10,11,12);1H.
What are the key properties of [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride?
[amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride has a molecular weight of 217.66 g/mol, XLogP of -5.55, 2 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(diaminomethylideneamino)methylidene]-(furan-2-ylmethyl)azanium chloride is sourced from PubChem (CID 135624049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).