[(3-methylidene-4-pyridinylidene)amino]methylideneazanium

C7H8N3+ — CID 148619392

IUPAC[(3-methylidene-4-pyridinylidene)amino]methylideneazanium
SMILESC=C1C=NC=C/C1=N\C=[NH2+]
InChIInChI=1S/C7H7N3/c1-6-4-9-3-2-7(6)10-5-8/h2-5,8H,1H2/p+1/b8-5?,10-7+
InChIKeyNFYWTYFPJAZOHL-NOFHWXGASA-O
MW134.16 g/mol
LogP-0.63
Rot. Bonds1

About [(3-methylidene-4-pyridinylidene)amino]methylideneazanium

[(3-methylidene-4-pyridinylidene)amino]methylideneazanium (PubChem CID 148619392) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is [(3-methylidene-4-pyridinylidene)amino]methylideneazanium.

Molecular Properties

Compound Name[(3-methylidene-4-pyridinylidene)amino]methylideneazanium
PubChem CID148619392
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name[(3-methylidene-4-pyridinylidene)amino]methylideneazanium
SMILESC=C1C=NC=C/C1=N\C=[NH2+]
InChIInChI=1S/C7H7N3/c1-6-4-9-3-2-7(6)10-5-8/h2-5,8H,1H2/p+1/b8-5?,10-7+
InChIKeyNFYWTYFPJAZOHL-NOFHWXGASA-O
XLogP-0.63
TPSA50.31 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
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

Iminopyrrolopyrimidine
CID 129707398
N-(4H-pyridin-3-ylidene)methanimidamide
CID 66613397
N-[(1E)-1-amino-2-methylpenta-1,4-dien-3-ylidene]methanimidamide
CID 90453946
(1E)-1-N-ethylidene-2-methylpenta-1,4-diene-1,3-diimine
CID 124185235
N-methyl-3-methylidenepyridin-4-imine
CID 130207751
(1Z)-4-methyl-1-N-methylidenepenta-1,4-diene-1,3-diimine
CID 144033254
2-methylidene-1-N-[(Z)-prop-1-enyl]butane-1,3-diimine
CID 156165726
5-ethenyl-3H-pyridin-4-imine
CID 173346384
1-(4H-pyridin-3-ylidene)guanidine
CID 173520308
3-Methylidenepyridin-4-imine
CID 101346876
N-(3-methylidene-4-pyridinylidene)methanimidamide
CID 148619393

Frequently Asked Questions

What is the IUPAC name of [(3-methylidene-4-pyridinylidene)amino]methylideneazanium?
The IUPAC name of [(3-methylidene-4-pyridinylidene)amino]methylideneazanium (CID 148619392) is [(3-methylidene-4-pyridinylidene)amino]methylideneazanium.
What is the SMILES notation for [(3-methylidene-4-pyridinylidene)amino]methylideneazanium?
The canonical SMILES for [(3-methylidene-4-pyridinylidene)amino]methylideneazanium is C=C1C=NC=C/C1=N\C=[NH2+].
What is the InChIKey of [(3-methylidene-4-pyridinylidene)amino]methylideneazanium?
The InChIKey is NFYWTYFPJAZOHL-NOFHWXGASA-O. The full InChI is InChI=1S/C7H7N3/c1-6-4-9-3-2-7(6)10-5-8/h2-5,8H,1H2/p+1/b8-5?,10-7+.
What are the key properties of [(3-methylidene-4-pyridinylidene)amino]methylideneazanium?
[(3-methylidene-4-pyridinylidene)amino]methylideneazanium has a molecular weight of 134.16 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylidene-4-pyridinylidene)amino]methylideneazanium is sourced from PubChem (CID 148619392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).