N'-cyano-N-pyrrol-1-ylmethanimidamide

C6H6N4 — CID 162416403

IUPACN'-cyano-N-pyrrol-1-ylmethanimidamide
SMILESN#C/N=C/Nn1cccc1
InChIInChI=1S/C6H6N4/c7-5-8-6-9-10-3-1-2-4-10/h1-4,6H,(H,8,9)
InChIKeyCOQSOWLZJNZKJI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.54
Rot. Bonds2

About N'-cyano-N-pyrrol-1-ylmethanimidamide

N'-cyano-N-pyrrol-1-ylmethanimidamide (PubChem CID 162416403) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is N'-cyano-N-pyrrol-1-ylmethanimidamide.

Molecular Properties

Compound NameN'-cyano-N-pyrrol-1-ylmethanimidamide
PubChem CID162416403
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC NameN'-cyano-N-pyrrol-1-ylmethanimidamide
SMILESN#C/N=C/Nn1cccc1
InChIInChI=1S/C6H6N4/c7-5-8-6-9-10-3-1-2-4-10/h1-4,6H,(H,8,9)
InChIKeyCOQSOWLZJNZKJI-UHFFFAOYSA-N
XLogP0.54
TPSA53.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Aminopyrrole
CID 136589
1-(Dimethylamino)pyrrole
CID 573527
N-methyl-1H-pyrrol-1-amine
CID 14232103
Pyrrolazide
CID 22178184
N-pyrrol-1-ylformamide
CID 56980626
1-(2,3-Dihydropyrrol-1-yl)pyrrole
CID 57220578
N-ureidopyrrole
CID 66968528
Pyrrol-1-ylhydrazine
CID 68554829
N-(nitrosoamino)azole
CID 129781919
1-Pyrrolyldithiocarbamic acid
CID 129794388
3-Fluoropyrrol-1-amine
CID 123188332
2-Fluoropyrrol-1-amine
CID 131969897

Frequently Asked Questions

What is the IUPAC name of N'-cyano-N-pyrrol-1-ylmethanimidamide?
The IUPAC name of N'-cyano-N-pyrrol-1-ylmethanimidamide (CID 162416403) is N'-cyano-N-pyrrol-1-ylmethanimidamide.
What is the SMILES notation for N'-cyano-N-pyrrol-1-ylmethanimidamide?
The canonical SMILES for N'-cyano-N-pyrrol-1-ylmethanimidamide is N#C/N=C/Nn1cccc1.
What is the InChIKey of N'-cyano-N-pyrrol-1-ylmethanimidamide?
The InChIKey is COQSOWLZJNZKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-5-8-6-9-10-3-1-2-4-10/h1-4,6H,(H,8,9).
What are the key properties of N'-cyano-N-pyrrol-1-ylmethanimidamide?
N'-cyano-N-pyrrol-1-ylmethanimidamide has a molecular weight of 134.14 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-N-pyrrol-1-ylmethanimidamide is sourced from PubChem (CID 162416403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).