2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine

C10H10N6O — CID 168604976

IUPAC2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine
SMILESN#Cc1cc(C=O)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C10H10N6O/c11-4-7-3-6(5-17)1-2-8(7)15-10(14)16-9(12)13/h1-3,5H,(H6,12,13,14,15,16)
InChIKeyMPRINONAPKPBBU-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.41
Rot. Bonds2

About 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine

2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine (PubChem CID 168604976) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine
PubChem CID168604976
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine
SMILESN#Cc1cc(C=O)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C10H10N6O/c11-4-7-3-6(5-17)1-2-8(7)15-10(14)16-9(12)13/h1-3,5H,(H6,12,13,14,15,16)
InChIKeyMPRINONAPKPBBU-UHFFFAOYSA-N
XLogP-0.41
TPSA143.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-cyano-1,3-benzodioxol-5-yl)-1-(diaminomethylidene)guanidine
CID 168603494
2-amino-5-formylbenzonitrile
CID 15067194
(2-cyano-4-formylphenyl)boronic acid
CID 178013294
2-(N-(2-amino-2-oxoethyl)-2-cyano-4-formylanilino)acetamide
CID 114063273
1-cyano-2-(4-formylphenyl)guanidine
CID 88524343
2-(azetidin-1-yl)-5-formylbenzonitrile
CID 126980598
2-fluoro-5-formylbenzene-1,3-dicarbonitrile
CID 154726103
2-(4-cyano-3-ethoxyphenyl)-1-(diaminomethylidene)guanidine
CID 168603465
2-(2-bromo-6-cyano-4-nitrophenyl)-1-(diaminomethylidene)guanidine
CID 168605702
2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168604546
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chlorobenzoic acid
CID 168605986
2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine
CID 168591340

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine (CID 168604976) is 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine is N#Cc1cc(C=O)ccc1/N=C(\N)N=C(N)N.
What is the InChIKey of 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine?
The InChIKey is MPRINONAPKPBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c11-4-7-3-6(5-17)1-2-8(7)15-10(14)16-9(12)13/h1-3,5H,(H6,12,13,14,15,16).
What are the key properties of 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine?
2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine has a molecular weight of 230.23 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168604976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).