(4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium

C4H10N4 — CID 59074010

IUPAC(4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium
SMILES[CH2-][NH2+]NC1=NCCN1
InChIInChI=1S/C4H10N4/c1-5-8-4-6-2-3-7-4/h1-3,5H2,(H2,6,7,8)
InChIKeyXZCVHVYAUCJFOI-UHFFFAOYSA-N
MW114.15 g/mol
LogP-2.19
Rot. Bonds1

About (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium

(4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium (PubChem CID 59074010) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium.

Molecular Properties

Compound Name(4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium
PubChem CID59074010
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name(4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium
SMILES[CH2-][NH2+]NC1=NCCN1
InChIInChI=1S/C4H10N4/c1-5-8-4-6-2-3-7-4/h1-3,5H2,(H2,6,7,8)
InChIKeyXZCVHVYAUCJFOI-UHFFFAOYSA-N
XLogP-2.19
TPSA53.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium?
The IUPAC name of (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium (CID 59074010) is (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium.
What is the SMILES notation for (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium?
The canonical SMILES for (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium is [CH2-][NH2+]NC1=NCCN1.
What is the InChIKey of (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium?
The InChIKey is XZCVHVYAUCJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c1-5-8-4-6-2-3-7-4/h1-3,5H2,(H2,6,7,8).
What are the key properties of (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium?
(4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium has a molecular weight of 114.15 g/mol, XLogP of -2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydro-1H-imidazol-2-ylamino)-methanidylazanium is sourced from PubChem (CID 59074010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).