4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide

C8H11N7 — CID 10465543

IUPAC4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(/C=N/N=C(N)N)ccn1
InChIInChI=1S/C8H11N7/c9-7(10)6-3-5(1-2-13-6)4-14-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)/b14-4+
InChIKeyDYJLAVXMPYIMOT-LNKIKWGQSA-N
MW205.23 g/mol
LogP-1.03
Rot. Bonds3

About 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide

4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide (PubChem CID 10465543) has the molecular formula C8H11N7 and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide
PubChem CID10465543
Molecular FormulaC8H11N7
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(/C=N/N=C(N)N)ccn1
InChIInChI=1S/C8H11N7/c9-7(10)6-3-5(1-2-13-6)4-14-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)/b14-4+
InChIKeyDYJLAVXMPYIMOT-LNKIKWGQSA-N
XLogP-1.03
TPSA139.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide (CID 10465543) is 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(/C=N/N=C(N)N)ccn1.
What is the InChIKey of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide?
The InChIKey is DYJLAVXMPYIMOT-LNKIKWGQSA-N. The full InChI is InChI=1S/C8H11N7/c9-7(10)6-3-5(1-2-13-6)4-14-15-8(11)12/h1-4H,(H3,9,10)(H4,11,12,15)/b14-4+.
What are the key properties of 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide?
4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide has a molecular weight of 205.23 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 10465543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).