5-isocyano-2-propan-2-yl-1H-imidazol-4-amine

C7H10N4 — CID 59060277

IUPAC5-isocyano-2-propan-2-yl-1H-imidazol-4-amine
SMILES[C-]#[N+]c1[nH]c(C(C)C)nc1N
InChIInChI=1S/C7H10N4/c1-4(2)6-10-5(8)7(9-3)11-6/h4H,8H2,1-2H3,(H,10,11)
InChIKeyDPDJNGXDFQLPAR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.67
Rot. Bonds1

About 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine

5-isocyano-2-propan-2-yl-1H-imidazol-4-amine (PubChem CID 59060277) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-isocyano-2-propan-2-yl-1H-imidazol-4-amine
PubChem CID59060277
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name5-isocyano-2-propan-2-yl-1H-imidazol-4-amine
SMILES[C-]#[N+]c1[nH]c(C(C)C)nc1N
InChIInChI=1S/C7H10N4/c1-4(2)6-10-5(8)7(9-3)11-6/h4H,8H2,1-2H3,(H,10,11)
InChIKeyDPDJNGXDFQLPAR-UHFFFAOYSA-N
XLogP1.67
TPSA59.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine?
The IUPAC name of 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine (CID 59060277) is 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine.
What is the SMILES notation for 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine?
The canonical SMILES for 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine is [C-]#[N+]c1[nH]c(C(C)C)nc1N.
What is the InChIKey of 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine?
The InChIKey is DPDJNGXDFQLPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-4(2)6-10-5(8)7(9-3)11-6/h4H,8H2,1-2H3,(H,10,11).
What are the key properties of 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine?
5-isocyano-2-propan-2-yl-1H-imidazol-4-amine has a molecular weight of 150.18 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2-propan-2-yl-1H-imidazol-4-amine is sourced from PubChem (CID 59060277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).