(4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine

C6H11N5 — CID 134334623

IUPAC(4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine
SMILESCNc1nc(=C/N)/c(=C\N)[nH]1
InChIInChI=1S/C6H11N5/c1-9-6-10-4(2-7)5(3-8)11-6/h2-3H,7-8H2,1H3,(H2,9,10,11)/b4-2+,5-3+
InChIKeyPPEMEUMOCFFBPF-ZUVMSYQZSA-N
MW153.19 g/mol
LogP-2.16
Rot. Bonds1

About (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine

(4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine (PubChem CID 134334623) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine
PubChem CID134334623
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name(4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine
SMILESCNc1nc(=C/N)/c(=C\N)[nH]1
InChIInChI=1S/C6H11N5/c1-9-6-10-4(2-7)5(3-8)11-6/h2-3H,7-8H2,1H3,(H2,9,10,11)/b4-2+,5-3+
InChIKeyPPEMEUMOCFFBPF-ZUVMSYQZSA-N
XLogP-2.16
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine?
The IUPAC name of (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine (CID 134334623) is (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine.
What is the SMILES notation for (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine?
The canonical SMILES for (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine is CNc1nc(=C/N)/c(=C\N)[nH]1.
What is the InChIKey of (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine?
The InChIKey is PPEMEUMOCFFBPF-ZUVMSYQZSA-N. The full InChI is InChI=1S/C6H11N5/c1-9-6-10-4(2-7)5(3-8)11-6/h2-3H,7-8H2,1H3,(H2,9,10,11)/b4-2+,5-3+.
What are the key properties of (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine?
(4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine has a molecular weight of 153.19 g/mol, XLogP of -2.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-bis(aminomethylidene)-N-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 134334623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).