2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine

C7H11N5 — CID 157078721

IUPAC2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1=CCC=C1
InChIInChI=1S/C7H11N5/c8-6(9)12-7(10)11-5-3-1-2-4-5/h1,3-4H,2H2,(H6,8,9,10,11,12)
InChIKeyYESOZHNMOLAHHT-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.58
Rot. Bonds1

About 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine

2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine (PubChem CID 157078721) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine
PubChem CID157078721
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1=CCC=C1
InChIInChI=1S/C7H11N5/c8-6(9)12-7(10)11-5-3-1-2-4-5/h1,3-4H,2H2,(H6,8,9,10,11,12)
InChIKeyYESOZHNMOLAHHT-UHFFFAOYSA-N
XLogP-0.58
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
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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Related Compounds

2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]guanidine
CID 141790398
2-[(3E)-hexa-1,3-dien-3-yl]-1-methylideneguanidine
CID 143861779
2-Cyclohexa-1,5-dien-1-ylguanidine
CID 143973120
N'-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 146557687
2-[(3Z)-hexa-1,3-dien-2-yl]guanidine
CID 146558163
2-Cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine
CID 146593506
1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine
CID 163895491
2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]guanidine
CID 169122359
2-Cyclopenta-1,3-dien-1-ylguanidine
CID 172707199
1-(Diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099839
1-(Diaminomethylidene)-2-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099840
1-(Diaminomethylidene)-2-(2-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099841

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine (CID 157078721) is 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/C1=CCC=C1.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine?
The InChIKey is YESOZHNMOLAHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c8-6(9)12-7(10)11-5-3-1-2-4-5/h1,3-4H,2H2,(H6,8,9,10,11,12).
What are the key properties of 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine?
2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine has a molecular weight of 165.20 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-yl-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 157078721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).