[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium

C10H14ClN5O — CID 142067628

IUPAC[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium
SMILESCN1CCN(Cc2ccc(Cl)nc2)/C1=N/[NH2+][O-]
InChIInChI=1S/C10H14ClN5O/c1-15-4-5-16(10(15)13-14-17)7-8-2-3-9(11)12-6-8/h2-3,6H,4-5,7,14H2,1H3/b13-10+
InChIKeyZOWBJPRAOFZSBM-JLHYYAGUSA-N
MW255.71 g/mol
LogP-0.19
Rot. Bonds3

About [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium

[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium (PubChem CID 142067628) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium.

Molecular Properties

Compound Name[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium
PubChem CID142067628
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium
SMILESCN1CCN(Cc2ccc(Cl)nc2)/C1=N/[NH2+][O-]
InChIInChI=1S/C10H14ClN5O/c1-15-4-5-16(10(15)13-14-17)7-8-2-3-9(11)12-6-8/h2-3,6H,4-5,7,14H2,1H3/b13-10+
InChIKeyZOWBJPRAOFZSBM-JLHYYAGUSA-N
XLogP-0.19
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]hydrazine
CID 89371026
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3-(methoxymethyl)imidazolidin-2-ylidene]nitramide
CID 15065931
[1-[(6-chloro-3-pyridinyl)methyl]-4-methyl-3-oxopiperazin-2-ylidene]cyanamide
CID 10967824
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3-(2-oxopropyl)imidazolidin-2-ylidene]nitramide
CID 91212945
N-[1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,3,5-triazinan-2-ylidene]nitramide
CID 54357438
(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]methanesulfonamide
CID 18414562
4-[(6-chloro-3-pyridinyl)methyl]-1,4-thiazepane
CID 60773865
2-chloro-5-[[(2E)-3-ethyl-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
CID 101135006
[[1-[(6-chloro-3-pyridinyl)methyl]-3-dihydroxyphosphinothioylimidazolidin-2-ylidene]amino]-hydroxy-oxoazanium
CID 173340395
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]thiourea
CID 54123222
(Z)-3-[(6-chloro-3-pyridinyl)methyl]-N-isocyano-1,3-thiazolidin-2-imine;methane
CID 172923550
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-methyl-3-prop-2-ynyl-1,3,5-triazinan-2-ylidene]nitramide
CID 22450905

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium?
The IUPAC name of [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium (CID 142067628) is [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium.
What is the SMILES notation for [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium?
The canonical SMILES for [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium is CN1CCN(Cc2ccc(Cl)nc2)/C1=N/[NH2+][O-].
What is the InChIKey of [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium?
The InChIKey is ZOWBJPRAOFZSBM-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-15-4-5-16(10(15)13-14-17)7-8-2-3-9(11)12-6-8/h2-3,6H,4-5,7,14H2,1H3/b13-10+.
What are the key properties of [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium?
[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium has a molecular weight of 255.71 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-[(6-chloro-3-pyridinyl)methyl]-3-methylimidazolidin-2-ylidene]amino]-oxidoazanium is sourced from PubChem (CID 142067628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).