(2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide

C9H15N5 — CID 174095535

IUPAC(2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide
SMILES[H]/N=C/C(/C=N/C)=C(N)/C=C\C(N)=N\C
InChIInChI=1S/C9H15N5/c1-13-6-7(5-10)8(11)3-4-9(12)14-2/h3-6,10H,11H2,1-2H3,(H2,12,14)/b4-3-,8-7?,10-5+,13-6+
InChIKeyFTLSNHNLPUIFAP-JYPGWCLHSA-N
MW193.25 g/mol
LogP0.09
Rot. Bonds4

About (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide

(2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide (PubChem CID 174095535) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide
PubChem CID174095535
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name(2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide
SMILES[H]/N=C/C(/C=N/C)=C(N)/C=C\C(N)=N\C
InChIInChI=1S/C9H15N5/c1-13-6-7(5-10)8(11)3-4-9(12)14-2/h3-6,10H,11H2,1-2H3,(H2,12,14)/b4-3-,8-7?,10-5+,13-6+
InChIKeyFTLSNHNLPUIFAP-JYPGWCLHSA-N
XLogP0.09
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide?
The IUPAC name of (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide (CID 174095535) is (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide.
What is the SMILES notation for (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide?
The canonical SMILES for (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide is [H]/N=C/C(/C=N/C)=C(N)/C=C\C(N)=N\C.
What is the InChIKey of (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide?
The InChIKey is FTLSNHNLPUIFAP-JYPGWCLHSA-N. The full InChI is InChI=1S/C9H15N5/c1-13-6-7(5-10)8(11)3-4-9(12)14-2/h3-6,10H,11H2,1-2H3,(H2,12,14)/b4-3-,8-7?,10-5+,13-6+.
What are the key properties of (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide?
(2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide has a molecular weight of 193.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-amino-5-methanimidoyl-N'-methyl-6-methyliminohexa-2,4-dienimidamide is sourced from PubChem (CID 174095535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).